CAS 19541-95-8|5-(4-methoxyphenyl)-2H-pyrazol-3-amine|3-(4-Methoxyphenyl)-1H-pyrazol-5-amine|3-(4-methoxyphenyl)-1H-pyrazol-5-amine|5-Amino-3-(4-methoxyphenyl)pyrazole|3-氨基-5-(4-甲氧苯基)吡唑|3-Am...

General Information

Structure

Molecular Formula

C₁₀H₁₁N₃O

Molecular Mass

189.21384

Exact Mass

189.09021199

Charge

InChI

InChI=1S/C10H11N3O/c1-14-8-4-2-7(3-5-8)9-6-10(11)13-12-9/h2-6H,1H3,(H3,11,12,13)

InChIKey

UPAGEJODHNVJNM-UHFFFAOYSA-N

Canonic Smiles

COc1ccc(cc1)c1cc([nH]n1)N

Isomeric Smiles

c1c(n[nH]c1N)c1ccc(cc1)OC

Calculated Properties

JChem

Acid pKa

14.347526

H Acceptors

H Donor

LogD (pH = 5.5)

1.40764

LogD (pH = 7.4)

1.4131289

Log P

1.4131993

Molar Refractivity

54.9265

Polarizability

21.741764

Polar Surface Area

63.93

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

5-(4-methoxyphenyl)-2H-pyrazol-3-amine 5-(4-methoxyphenyl)-1H-pyrazol-3-amine

Synonyms

3-(4-Methoxyphenyl)-1H-pyrazol-5-amine3-Amino-5-(4-methoxyphenyl)pyrazole5-Amino-3-(4-methoxyphenyl)pyrazole3-氨基-5-(4-甲氧苯基)吡唑3-(4-Methoxyphenyl)-1H-pyrazol-5-amine5-Amino-3-(4-methoxyphenyl)-1H-pyrazole3-Amino-5-(4-methoxyphenyl)pyrazole5-氨基-3-(4-甲氧基苯基)-1H-吡唑5-Amino-3-(4-methoxyphenyl)-1H-pyrazole

IUPAC name

3-(4-methoxyphenyl)-1H-pyrazol-5-amine 5-(4-methoxyphenyl)-1H-pyrazol-3-amine

Names and Identifiers

Registration numbers

CAS Number

19541-95-8

MDL Number

MFCD00462192MFCD03093928

PubChem CID

2756469

PubChem SID

16204752024877550