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

C18H19N3O — CID 82072444

IUPAC[1-benzyl-5-(3-methoxyphenyl)pyrazol-3-yl]methanamine
SMILESCOc1cccc(-c2cc(CN)nn2Cc2ccccc2)c1
InChIInChI=1S/C18H19N3O/c1-22-17-9-5-8-15(10-17)18-11-16(12-19)20-21(18)13-14-6-3-2-4-7-14/h2-11H,12-13,19H2,1H3
InChIKeyNEXZIPYYLQFJGW-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.07
Rot. Bonds5

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

[1-benzyl-5-(3-methoxyphenyl)pyrazol-3-yl]methanamine (PubChem CID 82072444) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is [1-benzyl-5-(3-methoxyphenyl)pyrazol-3-yl]methanamine.

Molecular Properties

Compound Name[1-benzyl-5-(3-methoxyphenyl)pyrazol-3-yl]methanamine
PubChem CID82072444
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name[1-benzyl-5-(3-methoxyphenyl)pyrazol-3-yl]methanamine
SMILESCOc1cccc(-c2cc(CN)nn2Cc2ccccc2)c1
InChIInChI=1S/C18H19N3O/c1-22-17-9-5-8-15(10-17)18-11-16(12-19)20-21(18)13-14-6-3-2-4-7-14/h2-11H,12-13,19H2,1H3
InChIKeyNEXZIPYYLQFJGW-UHFFFAOYSA-N
XLogP3.07
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-benzyl-5-(3-methoxyphenyl)pyrazol-3-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-benzyl-5-(3,4-dimethoxyphenyl)pyrazol-3-yl]methanamine
CID 82072343
[4-[[5-(3-methoxyphenyl)triazol-1-yl]methyl]phenyl]methanamine
CID 82222321
[1-[(2-chlorophenyl)methyl]-5-(3-methoxyphenyl)pyrazol-3-yl]methyl-triphenylphosphanium
CID 134587065
3-(chloromethyl)-5-(3-methoxyphenyl)-1-methylpyrazole
CID 82129617
[5-[3-(hydroxymethyl)phenyl]-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]methylphosphonic acid
CID 155254192
3,5-bis(3-methoxyphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole
CID 19586548
2-[[1-[(2-chlorophenyl)methyl]-5-(3-methoxyphenyl)pyrazol-3-yl]methoxy]butanoic acid
CID 134587099
[5-(3-methoxyphenyl)-1-methylpyrazol-3-yl]methanethiol
CID 82159157
3-[3-(bromomethyl)-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]benzonitrile
CID 169006656
4-bromo-3,5-bis(3-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrazole
CID 19586223
2-[[1-[(3-methoxyphenyl)methyl]-5-[3-(2-methylpropoxy)phenyl]pyrazol-3-yl]methoxy]-2-methylpropane-1,1-diol
CID 135136940
2-(1-benzyl-5-phenylpyrazol-3-yl)acetonitrile
CID 67324306

Frequently Asked Questions

What is the IUPAC name of [1-benzyl-5-(3-methoxyphenyl)pyrazol-3-yl]methanamine?
The IUPAC name of [1-benzyl-5-(3-methoxyphenyl)pyrazol-3-yl]methanamine (CID 82072444) is [1-benzyl-5-(3-methoxyphenyl)pyrazol-3-yl]methanamine.
What is the SMILES notation for [1-benzyl-5-(3-methoxyphenyl)pyrazol-3-yl]methanamine?
The canonical SMILES for [1-benzyl-5-(3-methoxyphenyl)pyrazol-3-yl]methanamine is COc1cccc(-c2cc(CN)nn2Cc2ccccc2)c1.
What is the InChIKey of [1-benzyl-5-(3-methoxyphenyl)pyrazol-3-yl]methanamine?
The InChIKey is NEXZIPYYLQFJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-22-17-9-5-8-15(10-17)18-11-16(12-19)20-21(18)13-14-6-3-2-4-7-14/h2-11H,12-13,19H2,1H3.
What are the key properties of [1-benzyl-5-(3-methoxyphenyl)pyrazol-3-yl]methanamine?
[1-benzyl-5-(3-methoxyphenyl)pyrazol-3-yl]methanamine has a molecular weight of 293.37 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-benzyl-5-(3-methoxyphenyl)pyrazol-3-yl]methanamine is sourced from PubChem (CID 82072444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).