CAS 31037-02-2|ethyl 5-amino-1-methylpyrazole-4-carboxylate|ethyl 5-amino-1-methyl-1H-pyrazole-4-carboxylate|Ethyl 5-amino-1-methylpyrazole-4-carboxylate|Ethyl 5-amino-1-methyl-1H-pyrazole-4-carboxy...

General Information

Structure

Molecular Formula

C₇H₁₁N₃O₂

Molecular Mass

169.18114

Exact Mass

169.08512661

Charge

InChI

InChI=1S/C7H11N3O2/c1-3-12-7(11)5-4-9-10(2)6(5)8/h4H,3,8H2,1-2H3

InChIKey

MEUSJJFWVKBUFP-UHFFFAOYSA-N

Canonic Smiles

CCOC(=O)c1cnn(c1N)C

Isomeric Smiles

c1c(c(n(n1)C)N)C(=O)OCC

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

0.6714927

LogD (pH = 7.4)

0.6717525

Log P

0.67175585

Molar Refractivity

55.689

Polarizability

16.371775

Polar Surface Area

70.14

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

ethyl 5-amino-1-methylpyrazole-4-carboxylate

Synonyms

Ethyl 5-amino-1-methylpyrazole-4-carboxylateEthyl 5-amino-1-methyl-1H-pyrazole-4-carboxylate5-Amino-4-(ethoxycarbonyl)-1-methyl-1H-pyrazole5-氨基-1-甲基吡唑-4-甲酸乙酯Ethyl 5-amino-1-methyl-1H-pyrazole-4-carboxylate5-氨基-1-甲基-1H-吡唑-4-甲酸乙酯5-Amino-1-methyl-1H-pyrazole-4-carboxylic acid ethyl ester

IUPAC name

ethyl 5-amino-1-methyl-1H-pyrazole-4-carboxylate

Names and Identifiers

Registration numbers

CAS Number

MDL Number

Beilstein Number

PubChem CID