CAS 139756-02-8|4-Amino-1-methyl-3-N-propyl-1H-pyrazole-5-carboxamide|4-amino-2-methyl-5-propylpyrazole-3-carboxamide|4-amino-1-methyl-3-propyl-1H-pyrazole-5-carboxamide|4-氨基-1-甲基-3-正丙基吡唑-5-...

General Information

Structure

Molecular Formula

C₈H₁₄N₄O

Molecular Mass

182.22296

Exact Mass

182.11676109

Charge

InChI

InChI=1S/C8H14N4O/c1-3-4-5-6(9)7(8(10)13)12(2)11-5/h3-4,9H2,1-2H3,(H2,10,13)

InChIKey

PZMXDLWWQHYXGY-UHFFFAOYSA-N

Canonic Smiles

CCCc1nn(c(c1N)C(=O)N)C

Isomeric Smiles

n1(nc(c(c1C(=O)N)N)CCC)C

Calculated Properties

JChem

LogD (pH = 7.4)

0.27

LogD (pH = 5.5)

0.21

Log P

0.27

Rotatable Bonds

H Donor

H Acceptors

Lipinski's Rule of Five

true

Acid pKa

4.64

Polar Surface Area

86.93

Polarizability

19.75

Molar Refractivity

62.44

LOG S

-0.86

Data Source

Names and Identifiers

Synonyms

4-Amino-1-methyl-3-N-propyl-1H-pyrazole-5-carboxamide4-氨基-1-甲基-3-正丙基吡唑-5-甲酰胺4-Amino-2-methyl-5-propyl-2H-pyrazole-3-carboxylic acid amide4-Amino-1-methyl-3-n-propyl-5-pyrazolecarboxamide4-氨基-1-甲基-3-正丙基-1H-吡唑-5-羧酰胺4-Amino-1-methyl-3-propyl-1H-pyrazole-5-carboxamide4-Amino-2-methyl-5-propyl-2H-pyrazole-3-carboxamide4-amino-1-methyl-3-propylpyrazole-5-carboxamide3-n-propyl-4-amino-5-carboxamido-N-methylpyrazole4-amino-1-methyl-3-n-propylpyrazole-5-carboxamide

IUPAC Traditional name

4-amino-2-methyl-5-propylpyrazole-3-carboxamide

IUPAC name

4-amino-1-methyl-3-propyl-1H-pyrazole-5-carboxamide

Names and Identifiers

Registration numbers

MDL Number

MFCD02927682

CAS Number

139756-02-8

PubChem SID

2487809816203477992741932