ethyl 4-formyl-1H-pyrazole-3-carboxylate

ethyl 4-formyl-1H-pyrazole-3-carboxylate

CAS: 179692-09-2

Formula: C7H8N2O3

SMILES: CCOC(=O)C1=NNC=C1C=O

IUPAC: ethyl 4-formyl-1H-pyrazole-3-carboxylate

InChI: InChI=1S/C7H8N2O3/c1-2-12-7(11)6-5(4-10)3-8-9-6/h3-4H,2H2,1H3,(H,8,9)

Composition: C (50.00%), H (4.80%), N (16.66%), O (28.54%)

Molar Mass: 168.152

Atom Count: 20

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	168.053492126
Formal Charge	0
FSP3	0.29
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	UEQLAZGHIUZUEO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	42.73
Topological Polar Surface Area	72.05
Polarizability	15.43
Ring Count	1
Rotatable Bond Count	4

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