[1-(4-chlorophenyl)-5-(4-methoxyphenyl)pyrazol-3-yl]methanamine

C17H16ClN3O — CID 82071935

IUPAC[1-(4-chlorophenyl)-5-(4-methoxyphenyl)pyrazol-3-yl]methanamine
SMILESCOc1ccc(-c2cc(CN)nn2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H16ClN3O/c1-22-16-8-2-12(3-9-16)17-10-14(11-19)20-21(17)15-6-4-13(18)5-7-15/h2-10H,11,19H2,1H3
InChIKeyCNORSLJWNPSPDD-UHFFFAOYSA-N
MW313.79 g/mol
LogP3.66
Rot. Bonds4

About [1-(4-chlorophenyl)-5-(4-methoxyphenyl)pyrazol-3-yl]methanamine

[1-(4-chlorophenyl)-5-(4-methoxyphenyl)pyrazol-3-yl]methanamine (PubChem CID 82071935) has the molecular formula C17H16ClN3O and a molecular weight of 313.79 g/mol. Its IUPAC name is [1-(4-chlorophenyl)-5-(4-methoxyphenyl)pyrazol-3-yl]methanamine.

Molecular Properties

Compound Name[1-(4-chlorophenyl)-5-(4-methoxyphenyl)pyrazol-3-yl]methanamine
PubChem CID82071935
Molecular FormulaC17H16ClN3O
Molecular Weight313.79 g/mol
Exact Mass313.10
IUPAC Name[1-(4-chlorophenyl)-5-(4-methoxyphenyl)pyrazol-3-yl]methanamine
SMILESCOc1ccc(-c2cc(CN)nn2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H16ClN3O/c1-22-16-8-2-12(3-9-16)17-10-14(11-19)20-21(17)15-6-4-13(18)5-7-15/h2-10H,11,19H2,1H3
InChIKeyCNORSLJWNPSPDD-UHFFFAOYSA-N
XLogP3.66
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]methanamine
CID 82072095
ethyl 3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoate
CID 11222871
2-[4-[3-chloro-1-(4-methoxyphenyl)pyrazol-5-yl]phenoxy]ethanamine
CID 21090779
1-(4-chlorophenyl)-5-(4-methoxyphenyl)pyrazole-3-carbonitrile
CID 94962094
5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazole-3-carbaldehyde
CID 54077138
2-[1-(3,4-dimethylphenyl)-5-(4-methoxyphenyl)pyrazol-3-yl]ethanamine
CID 82071889
3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-hydroxy-N,2-dimethylpropanamide
CID 15002765
[1-(2-methoxyphenyl)-5-(4-methoxyphenyl)pyrazol-3-yl]methanamine
CID 82071949
2-[3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propyl-ethylamino]-2-oxoacetic acid
CID 67867260
[1-(4-ethoxyphenyl)-5-(4-fluorophenyl)pyrazol-3-yl]methanamine
CID 82072208
[1-(4-methoxyphenyl)-5-thiophen-2-ylpyrazol-3-yl]methanamine
CID 82072981
[4-[1-(4-methoxyphenyl)-3-propan-2-ylpyrazol-5-yl]phenyl]methanamine;hydrochloride
CID 21090936

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)-5-(4-methoxyphenyl)pyrazol-3-yl]methanamine?
The IUPAC name of [1-(4-chlorophenyl)-5-(4-methoxyphenyl)pyrazol-3-yl]methanamine (CID 82071935) is [1-(4-chlorophenyl)-5-(4-methoxyphenyl)pyrazol-3-yl]methanamine.
What is the SMILES notation for [1-(4-chlorophenyl)-5-(4-methoxyphenyl)pyrazol-3-yl]methanamine?
The canonical SMILES for [1-(4-chlorophenyl)-5-(4-methoxyphenyl)pyrazol-3-yl]methanamine is COc1ccc(-c2cc(CN)nn2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of [1-(4-chlorophenyl)-5-(4-methoxyphenyl)pyrazol-3-yl]methanamine?
The InChIKey is CNORSLJWNPSPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O/c1-22-16-8-2-12(3-9-16)17-10-14(11-19)20-21(17)15-6-4-13(18)5-7-15/h2-10H,11,19H2,1H3.
What are the key properties of [1-(4-chlorophenyl)-5-(4-methoxyphenyl)pyrazol-3-yl]methanamine?
[1-(4-chlorophenyl)-5-(4-methoxyphenyl)pyrazol-3-yl]methanamine has a molecular weight of 313.79 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)-5-(4-methoxyphenyl)pyrazol-3-yl]methanamine is sourced from PubChem (CID 82071935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).