3-amino-5-(methylsulfanyl)-1H-pyrazole-4-carboxamide

3-amino-5-(methylsulfanyl)-1H-pyrazole-4-carboxamide

CAS: 90914-35-5

Formula: C5H8N4OS

SMILES: CSC1=C(C(N)=O)C(N)=NN1

IUPAC: 3-amino-5-(methylsulfanyl)-1H-pyrazole-4-carboxamide

InChI: InChI=1S/C5H8N4OS/c1-11-5-2(4(7)10)3(6)8-9-5/h1H3,(H2,7,10)(H3,6,8,9)

Composition: C (34.87%), H (4.68%), N (32.54%), O (9.29%), S (18.62%)

Molar Mass: 172.21

Atom Count: 19

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	172.041882068
Formal Charge	0
FSP3	0.2
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
InChIKey	MBHLPIXKNRKHEE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.85
Topological Polar Surface Area	97.79
Polarizability	16.09
Ring Count	1
Rotatable Bond Count	2

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