Pyrazole
PubChem CID: 1048
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| Compound Synonyms | pyrazole, 1H-Pyrazole, 288-13-1, 1,2-diazole, Pyrazol, 1H-pyrazol, UNII-3QD5KJZ7ZJ, 3QD5KJZ7ZJ, EINECS 206-017-1, MFCD00005234, NSC 45410, CHEBI:17241, AI3-60151, NSC45410, NSC-45410, DTXSID2059774, EC 206-017-1, Hpz, diazole, Pyrazole, 1H-Pyrazole, 1,2-Diazole, 2-Azapyrrole, NSC 45410, Pyrazole-, 3-pyrazole, Pyrazole, 98%, PYRAZOLE [MI], WLN: T5MNJ, CHEMBL15967, DTXCID4037873, BCP26863, STR00103, BDBM50390969, s3093, STK400566, AKOS000121045, Pyrazole, purum, >=98.0% (GC), CS-W008829, DB02757, FP15855, BP-12835, HY-76228, NCI60_004054, Pyrazole, Vetec(TM) reagent grade, 98%, NS00014209, P0546, EN300-21658, A15455, C00481, D78528, AC-907/25014006, Q408908, F2190-0642, Z104507728, InChI=1/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5, 105809-46-9, 206-017-1 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 28.7 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCC1 |
| Deep Smiles | cccn[nH]5 |
| Heavy Atom Count | 5.0 |
| Classyfire Class | Azoles |
| Scaffold Graph Node Level | C1CNNC1 |
| Classyfire Subclass | Pyrazoles |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 28.1 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1H-pyrazole |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 0.3 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C3H4N2 |
| Scaffold Graph Node Bond Level | c1cn[nH]c1 |
| Inchi Key | WTKZEGDFNFYCGP-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | pyrazole |
| Esol Class | Very soluble |
| Functional Groups | cn[nH]c |
| Compound Name | Pyrazole |
| Exact Mass | 68.0374 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 68.0374 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 68.08 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5) |
| Smiles | C1=CNN=C1 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
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