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

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

CAS: 478968-48-8

Formula: C7H10N2O3

SMILES: CCOC(=O)C1=CNN=C1OC

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

InChI: InChI=1S/C7H10N2O3/c1-3-12-7(10)5-4-8-9-6(5)11-2/h4H,3H2,1-2H3,(H,8,9)

Composition: C (49.41%), H (5.92%), N (16.46%), O (28.21%)

Molar Mass: 170.168

Atom Count: 22

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	170.06914219
Formal Charge	0
FSP3	0.43
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	VXHCBKUFAXDEDI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.3
Topological Polar Surface Area	64.21
Polarizability	16.02
Ring Count	1
Rotatable Bond Count	4

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