1.0 2026-09-21 12:43:37 UTC 2026-09-21 12:43:37 UTC FDB116451 pyrazole 1H-pyrazole C3H4N2 68.0773 68.037448138 1H-pyrazole pyrazole N1C=CC=N1 InChI=1S/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5) WTKZEGDFNFYCGP-UHFFFAOYSA-N belongs to the class of organic compounds known as pyrazoles. Pyrazoles are compounds containing a pyrazole ring, which is a five-member aromatic ring with two nitrogen atoms (at positions 1 and 2) and three carbon atoms. Pyrazoles Organic compounds Organoheterocyclic compounds Azoles Pyrazoles Aromatic heteromonocyclic compounds Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds Aromatic heteromonocyclic compound Azacycle Heteroaromatic compound Hydrocarbon derivative Organic nitrogen compound Organonitrogen compound Organopnictogen compound Pyrazole a small molecule pyrazole logp 0.03 ALOGPS logs 0.85 ALOGPS solubility 4.84e+02 g/l ALOGPS logp 0.28 ChemAxon pka_strongest_acidic 14.63 ChemAxon pka_strongest_basic 2.17 ChemAxon iupac 1H-pyrazole ChemAxon average_mass 68.0773 ChemAxon mono_mass 68.037448138 ChemAxon smiles N1C=CC=N1 ChemAxon formula C3H4N2 ChemAxon inchi InChI=1S/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5) ChemAxon inchikey WTKZEGDFNFYCGP-UHFFFAOYSA-N ChemAxon polar_surface_area 28.68 ChemAxon refractivity 19.75 ChemAxon polarizability 6.53 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 26847 Specdb::CMs 112008 Specdb::CMs 125378 Specdb::MsMs 45051 Specdb::MsMs 45052 Specdb::MsMs 45053 Specdb::MsMs 111063 Specdb::MsMs 111064 Specdb::MsMs 111065 Specdb::MsMs 446857 Specdb::MsMs 446858 Specdb::MsMs 446859 Specdb::MsMs 446860 Specdb::MsMs 446861 Specdb::MsMs 452289