ethyl 1H-pyrazole-4-carboxylate hydrochloride

ethyl 1H-pyrazole-4-carboxylate hydrochloride

CAS: 1242339-75-8

Formula: C6H9ClN2O2

SMILES: Cl.CCOC(=O)C1=CNN=C1

IUPAC: ethyl 1H-pyrazole-4-carboxylate hydrochloride

InChI: InChI=1S/C6H8N2O2.ClH/c1-2-10-6(9)5-3-7-8-4-5;/h3-4H,2H2,1H3,(H,7,8);1H

Composition: C (40.81%), H (5.14%), Cl (20.07%), N (15.86%), O (18.12%)

Molar Mass: 176.6

Atom Count: 20

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	176.0352552
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	NILLKQABODQIFV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	36.52
Topological Polar Surface Area	54.98
Polarizability	13.46
Ring Count	1
Rotatable Bond Count	3

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