5-(1H-pyrazol-3-yl)thiophene-2-carboxylic acid

5-(1H-pyrazol-3-yl)thiophene-2-carboxylic acid

CAS: 656226-63-0

Formula: C8H6N2O2S

SMILES: OC(=O)C1=CC=C(S1)C1=NNC=C1

IUPAC: 5-(1H-pyrazol-3-yl)thiophene-2-carboxylic acid

InChI: InChI=1S/C8H6N2O2S/c11-8(12)7-2-1-6(13-7)5-3-4-9-10-5/h1-4H,(H,9,10)(H,11,12)

Composition: C (49.48%), H (3.11%), N (14.42%), O (16.48%), S (16.51%)

Molar Mass: 194.21

Atom Count: 19

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	194.014998615
Formal Charge	0
FSP3	0
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	FMXYBKOCJXQJOV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.44
Topological Polar Surface Area	65.98
Polarizability	19.13
Ring Count	2
Rotatable Bond Count	2

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