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3-amino-1H-pyrazole-4-carboxylic acid

3-amino-1H-pyrazole-4-carboxylic acid

CAS: 41680-34-6

Formula: C4H5N3O2

SMILES: NC1=NNC=C1C(O)=O

IUPAC: 3-amino-1H-pyrazole-4-carboxylic acid

InChI: InChI=1S/C4H5N3O2/c5-3-2(4(8)9)1-6-7-3/h1H,(H,8,9)(H3,5,6,7)

Composition: C (37.80%), H (3.97%), N (33.06%), O (25.17%)

Molar Mass: 127.103

Atom Count: 14

Heavy Atom Count: 9

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 127.038176413
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 3
InChIKey KMRVTZLKQPFHFS-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 32.02
Topological Polar Surface Area 92
Polarizability 10.77
Ring Count 1
Rotatable Bond Count 1

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