[3-(aminomethyl)pyrrolidin-1-yl]-[1-benzyl-3-(3,4-dimethylphenyl)pyrazol-4-yl]methanone

C24H28N4O — CID 119484360

IUPAC[3-(aminomethyl)pyrrolidin-1-yl]-[1-benzyl-3-(3,4-dimethylphenyl)pyrazol-4-yl]methanone
SMILESCc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)N2CCC(CN)C2)cc1C
InChIInChI=1S/C24H28N4O/c1-17-8-9-21(12-18(17)2)23-22(24(29)27-11-10-20(13-25)14-27)16-28(26-23)15-19-6-4-3-5-7-19/h3-9,12,16,20H,10-11,13-15,25H2,1-2H3
InChIKeyOAXMCCSQFUOFED-UHFFFAOYSA-N
MW388.52 g/mol
LogP3.64
Rot. Bonds5

About [3-(aminomethyl)pyrrolidin-1-yl]-[1-benzyl-3-(3,4-dimethylphenyl)pyrazol-4-yl]methanone

[3-(aminomethyl)pyrrolidin-1-yl]-[1-benzyl-3-(3,4-dimethylphenyl)pyrazol-4-yl]methanone (PubChem CID 119484360) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is [3-(aminomethyl)pyrrolidin-1-yl]-[1-benzyl-3-(3,4-dimethylphenyl)pyrazol-4-yl]methanone.

Molecular Properties

Compound Name[3-(aminomethyl)pyrrolidin-1-yl]-[1-benzyl-3-(3,4-dimethylphenyl)pyrazol-4-yl]methanone
PubChem CID119484360
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC Name[3-(aminomethyl)pyrrolidin-1-yl]-[1-benzyl-3-(3,4-dimethylphenyl)pyrazol-4-yl]methanone
SMILESCc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)N2CCC(CN)C2)cc1C
InChIInChI=1S/C24H28N4O/c1-17-8-9-21(12-18(17)2)23-22(24(29)27-11-10-20(13-25)14-27)16-28(26-23)15-19-6-4-3-5-7-19/h3-9,12,16,20H,10-11,13-15,25H2,1-2H3
InChIKeyOAXMCCSQFUOFED-UHFFFAOYSA-N
XLogP3.64
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-(aminomethyl)pyrrolidin-1-yl]-[1-benzyl-3-(3,4-dimethylphenyl)pyrazol-4-yl]methanone 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

[(3R)-3-aminopyrrolidin-1-yl]-[1-benzyl-3-(3,4-dimethylphenyl)pyrazol-4-yl]methanone
CID 119410389
(3-aminopiperidin-1-yl)-[1-benzyl-3-(4-methoxyphenyl)pyrazol-4-yl]methanone;hydrochloride
CID 119377328
(4-aminopiperidin-1-yl)-[1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]methanone;hydrochloride
CID 119374601
ethyl 1-(1-benzyl-3-phenylpyrazole-4-carbonyl)piperidine-3-carboxylate
CID 42916406
1-benzyl-3-(3,4-dimethylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-4-carboxamide
CID 78901048
1-benzyl-N-[2-(dimethylamino)ethyl]-3-(3,4-dimethylphenyl)pyrazole-4-carboxamide
CID 112769964
(1-benzyl-3-phenylpyrazol-4-yl)-(2-methylmorpholin-4-yl)methanone
CID 24575611
(1-benzyl-3-phenylpyrazol-4-yl)-(3-methylpiperazin-1-yl)methanone
CID 119576322
[4-[1-benzyl-3-(4-methylphenyl)pyrazole-4-carbonyl]piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 55849958
1-[4-[1-benzyl-3-(4-methylphenyl)pyrazole-4-carbonyl]-1,4-diazepan-1-yl]ethanone
CID 134061676
1-benzyl-N-[2-(dimethylamino)-2-oxoethyl]-3-(3,4-dimethylphenyl)-N-methylpyrazole-4-carboxamide
CID 9227116
4-[1-benzyl-3-(4-chlorophenyl)pyrazole-4-carbonyl]morpholine-2-carboxamide
CID 60607152

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)pyrrolidin-1-yl]-[1-benzyl-3-(3,4-dimethylphenyl)pyrazol-4-yl]methanone?
The IUPAC name of [3-(aminomethyl)pyrrolidin-1-yl]-[1-benzyl-3-(3,4-dimethylphenyl)pyrazol-4-yl]methanone (CID 119484360) is [3-(aminomethyl)pyrrolidin-1-yl]-[1-benzyl-3-(3,4-dimethylphenyl)pyrazol-4-yl]methanone.
What is the SMILES notation for [3-(aminomethyl)pyrrolidin-1-yl]-[1-benzyl-3-(3,4-dimethylphenyl)pyrazol-4-yl]methanone?
The canonical SMILES for [3-(aminomethyl)pyrrolidin-1-yl]-[1-benzyl-3-(3,4-dimethylphenyl)pyrazol-4-yl]methanone is Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)N2CCC(CN)C2)cc1C.
What is the InChIKey of [3-(aminomethyl)pyrrolidin-1-yl]-[1-benzyl-3-(3,4-dimethylphenyl)pyrazol-4-yl]methanone?
The InChIKey is OAXMCCSQFUOFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-17-8-9-21(12-18(17)2)23-22(24(29)27-11-10-20(13-25)14-27)16-28(26-23)15-19-6-4-3-5-7-19/h3-9,12,16,20H,10-11,13-15,25H2,1-2H3.
What are the key properties of [3-(aminomethyl)pyrrolidin-1-yl]-[1-benzyl-3-(3,4-dimethylphenyl)pyrazol-4-yl]methanone?
[3-(aminomethyl)pyrrolidin-1-yl]-[1-benzyl-3-(3,4-dimethylphenyl)pyrazol-4-yl]methanone has a molecular weight of 388.52 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)pyrrolidin-1-yl]-[1-benzyl-3-(3,4-dimethylphenyl)pyrazol-4-yl]methanone is sourced from PubChem (CID 119484360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).