2-[1-benzyl-5-(4-methylphenyl)pyrazol-3-yl]ethanamine

C19H21N3 — CID 82072030

IUPAC2-[1-benzyl-5-(4-methylphenyl)pyrazol-3-yl]ethanamine
SMILESCc1ccc(-c2cc(CCN)nn2Cc2ccccc2)cc1
InChIInChI=1S/C19H21N3/c1-15-7-9-17(10-8-15)19-13-18(11-12-20)21-22(19)14-16-5-3-2-4-6-16/h2-10,13H,11-12,14,20H2,1H3
InChIKeyFTSMLNHPUNAZES-UHFFFAOYSA-N
MW291.40 g/mol
LogP3.41
Rot. Bonds5

About 2-[1-benzyl-5-(4-methylphenyl)pyrazol-3-yl]ethanamine

2-[1-benzyl-5-(4-methylphenyl)pyrazol-3-yl]ethanamine (PubChem CID 82072030) has the molecular formula C19H21N3 and a molecular weight of 291.40 g/mol. Its IUPAC name is 2-[1-benzyl-5-(4-methylphenyl)pyrazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-benzyl-5-(4-methylphenyl)pyrazol-3-yl]ethanamine
PubChem CID82072030
Molecular FormulaC19H21N3
Molecular Weight291.40 g/mol
Exact Mass291.17
IUPAC Name2-[1-benzyl-5-(4-methylphenyl)pyrazol-3-yl]ethanamine
SMILESCc1ccc(-c2cc(CCN)nn2Cc2ccccc2)cc1
InChIInChI=1S/C19H21N3/c1-15-7-9-17(10-8-15)19-13-18(11-12-20)21-22(19)14-16-5-3-2-4-6-16/h2-10,13H,11-12,14,20H2,1H3
InChIKeyFTSMLNHPUNAZES-UHFFFAOYSA-N
XLogP3.41
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-benzyl-5-(4-methylphenyl)pyrazol-3-yl]ethanamine 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
2-(1-benzyl-5-phenylpyrazol-3-yl)acetonitrile
CID 67324306
1-benzyl-5-(4-fluorophenyl)-3-methylpyrazole
CID 59281596
1-benzyl-3-(1-benzyl-5-phenylpyrazol-3-yl)-5-phenylpyrazole
CID 84820888
[1-benzyl-5-(3-methoxyphenyl)pyrazol-3-yl]methanamine
CID 82072444
2-[1-(2,5-dimethylphenyl)-5-(4-fluorophenyl)pyrazol-3-yl]ethanamine
CID 82072157
1-benzyl-3,5-bis(4-fluorophenyl)pyrazole
CID 19587500
3-(1-methyl-5-phenylpyrazol-3-yl)propan-1-amine
CID 105469039
2-[2-[1-benzyl-5-(4-chlorophenyl)pyrazol-3-yl]-4-methylphenoxy]acetic acid
CID 110077326
[5-methyl-2-[(4-methylphenyl)methyl]pyrazol-3-yl]methanamine
CID 83534323
ethyl 5-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazole-3-carboxylate
CID 91872786
3-[1-[(3,4-dichlorophenyl)methyl]-5-(4-methylphenyl)pyrazol-3-yl]-2-(3-methylphenyl)propanoic acid
CID 59984404

Frequently Asked Questions

What is the IUPAC name of 2-[1-benzyl-5-(4-methylphenyl)pyrazol-3-yl]ethanamine?
The IUPAC name of 2-[1-benzyl-5-(4-methylphenyl)pyrazol-3-yl]ethanamine (CID 82072030) is 2-[1-benzyl-5-(4-methylphenyl)pyrazol-3-yl]ethanamine.
What is the SMILES notation for 2-[1-benzyl-5-(4-methylphenyl)pyrazol-3-yl]ethanamine?
The canonical SMILES for 2-[1-benzyl-5-(4-methylphenyl)pyrazol-3-yl]ethanamine is Cc1ccc(-c2cc(CCN)nn2Cc2ccccc2)cc1.
What is the InChIKey of 2-[1-benzyl-5-(4-methylphenyl)pyrazol-3-yl]ethanamine?
The InChIKey is FTSMLNHPUNAZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3/c1-15-7-9-17(10-8-15)19-13-18(11-12-20)21-22(19)14-16-5-3-2-4-6-16/h2-10,13H,11-12,14,20H2,1H3.
What are the key properties of 2-[1-benzyl-5-(4-methylphenyl)pyrazol-3-yl]ethanamine?
2-[1-benzyl-5-(4-methylphenyl)pyrazol-3-yl]ethanamine has a molecular weight of 291.40 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-benzyl-5-(4-methylphenyl)pyrazol-3-yl]ethanamine is sourced from PubChem (CID 82072030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).