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

C18H19N3O — CID 82072095

IUPAC[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]methanamine
SMILESCOc1ccc(-n2nc(CN)cc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C18H19N3O/c1-13-3-5-14(6-4-13)18-11-15(12-19)20-21(18)16-7-9-17(22-2)10-8-16/h3-11H,12,19H2,1-2H3
InChIKeyCNXAILLDPQMSJC-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.32
Rot. Bonds4

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

[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]methanamine (PubChem CID 82072095) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is [1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]methanamine.

Molecular Properties

Compound Name[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]methanamine
PubChem CID82072095
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]methanamine
SMILESCOc1ccc(-n2nc(CN)cc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C18H19N3O/c1-13-3-5-14(6-4-13)18-11-15(12-19)20-21(18)16-7-9-17(22-2)10-8-16/h3-11H,12,19H2,1-2H3
InChIKeyCNXAILLDPQMSJC-UHFFFAOYSA-N
XLogP3.32
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-chlorophenyl)-5-(4-methoxyphenyl)pyrazol-3-yl]methanamine
CID 82071935
3-methoxy-1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazole
CID 173202359
2-[1-(3,4-dimethylphenyl)-5-(4-methoxyphenyl)pyrazol-3-yl]ethanamine
CID 82071889
3-[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]-2-(4-methylphenyl)propanal
CID 142851613
[1-(2-methoxyphenyl)-5-(4-methoxyphenyl)pyrazol-3-yl]methanamine
CID 82071949
[1-(4-methoxyphenyl)-5-thiophen-2-ylpyrazol-3-yl]methanamine
CID 82072981
[1-(4-ethoxyphenyl)-5-(4-fluorophenyl)pyrazol-3-yl]methanamine
CID 82072208
[4-[1-(4-methoxyphenyl)-3-propan-2-ylpyrazol-5-yl]phenyl]methanamine;hydrochloride
CID 21090936
methyl 2-[1-methoxy-3-[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]-1-oxopropan-2-yl]benzoate
CID 14871173
ethyl 3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoate
CID 11222871
[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl] acetate
CID 150185883
2-[4-[3-chloro-1-(4-methoxyphenyl)pyrazol-5-yl]phenoxy]ethanamine
CID 21090779

Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]methanamine?
The IUPAC name of [1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]methanamine (CID 82072095) is [1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]methanamine.
What is the SMILES notation for [1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]methanamine?
The canonical SMILES for [1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]methanamine is COc1ccc(-n2nc(CN)cc2-c2ccc(C)cc2)cc1.
What is the InChIKey of [1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]methanamine?
The InChIKey is CNXAILLDPQMSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-13-3-5-14(6-4-13)18-11-15(12-19)20-21(18)16-7-9-17(22-2)10-8-16/h3-11H,12,19H2,1-2H3.
What are the key properties of [1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]methanamine?
[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]methanamine has a molecular weight of 293.37 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]methanamine is sourced from PubChem (CID 82072095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).