methyl 4-methyl-1H-pyrazole-3-carboxylate

methyl 4-methyl-1H-pyrazole-3-carboxylate

CAS: 68809-58-5

Formula: C6H8N2O2

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

IUPAC: methyl 4-methyl-1H-pyrazole-3-carboxylate

InChI: InChI=1S/C6H8N2O2/c1-4-3-7-8-5(4)6(9)10-2/h3H,1-2H3,(H,7,8)

Composition: C (51.42%), H (5.75%), N (19.99%), O (22.83%)

Molar Mass: 140.142

Atom Count: 18

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	140.058577506
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	IFXPRADXZJOPEQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	36.44
Topological Polar Surface Area	54.98
Polarizability	13.4
Ring Count	1
Rotatable Bond Count	2

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