[4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazin-1-yl]-[3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methanone

C31H41N5O — CID 146146240

IUPAC[4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazin-1-yl]-[3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methanone
SMILESCc1ccc(Cn2cc(C(=O)N3CCN(CCN4C(C)CCC4C)CC3)c(-c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C31H41N5O/c1-23-5-11-27(12-6-23)21-35-22-29(30(32-35)28-13-7-24(2)8-14-28)31(37)34-18-15-33(16-19-34)17-20-36-25(3)9-10-26(36)4/h5-8,11-14,22,25-26H,9-10,15-21H2,1-4H3
InChIKeyNQRQJPDHZJMTTJ-UHFFFAOYSA-N
MW499.70 g/mol
LogP4.85
Rot. Bonds7

About [4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazin-1-yl]-[3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methanone

[4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazin-1-yl]-[3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methanone (PubChem CID 146146240) has the molecular formula C31H41N5O and a molecular weight of 499.70 g/mol. Its IUPAC name is [4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazin-1-yl]-[3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methanone.

Molecular Properties

Compound Name[4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazin-1-yl]-[3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methanone
PubChem CID146146240
Molecular FormulaC31H41N5O
Molecular Weight499.70 g/mol
Exact Mass499.33
IUPAC Name[4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazin-1-yl]-[3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methanone
SMILESCc1ccc(Cn2cc(C(=O)N3CCN(CCN4C(C)CCC4C)CC3)c(-c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C31H41N5O/c1-23-5-11-27(12-6-23)21-35-22-29(30(32-35)28-13-7-24(2)8-14-28)31(37)34-18-15-33(16-19-34)17-20-36-25(3)9-10-26(36)4/h5-8,11-14,22,25-26H,9-10,15-21H2,1-4H3
InChIKeyNQRQJPDHZJMTTJ-UHFFFAOYSA-N
XLogP4.85
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.70
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazin-1-yl]-[3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]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

[3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 56551223
[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-3-(4-methylphenyl)pyrazol-4-yl]-(4-propylpiperazin-4-ium-1-yl)methanone
CID 8006130
2-[4-[1-benzyl-3-(4-chlorophenyl)pyrazole-4-carbonyl]piperazin-1-yl]-N-ethylacetamide
CID 36521915
2-[4-[1-benzyl-3-(4-methylphenyl)pyrazole-4-carbonyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 33300296
1-methyl-4-[4-[(4-methylphenyl)methyl]piperazine-1-carbonyl]pyrazole-3-carboxylic acid
CID 19498665
[1-benzyl-3-(4-methylphenyl)pyrazol-4-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 38574853
[1-benzyl-3-(4-chlorophenyl)pyrazol-4-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 55493749
(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
2-[4-(1-benzyl-3-phenylpyrazole-4-carbonyl)piperazin-1-yl]propanamide
CID 86953684

Frequently Asked Questions

What is the IUPAC name of [4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazin-1-yl]-[3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methanone?
The IUPAC name of [4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazin-1-yl]-[3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methanone (CID 146146240) is [4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazin-1-yl]-[3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methanone.
What is the SMILES notation for [4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazin-1-yl]-[3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methanone?
The canonical SMILES for [4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazin-1-yl]-[3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methanone is Cc1ccc(Cn2cc(C(=O)N3CCN(CCN4C(C)CCC4C)CC3)c(-c3ccc(C)cc3)n2)cc1.
What is the InChIKey of [4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazin-1-yl]-[3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methanone?
The InChIKey is NQRQJPDHZJMTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H41N5O/c1-23-5-11-27(12-6-23)21-35-22-29(30(32-35)28-13-7-24(2)8-14-28)31(37)34-18-15-33(16-19-34)17-20-36-25(3)9-10-26(36)4/h5-8,11-14,22,25-26H,9-10,15-21H2,1-4H3.
What are the key properties of [4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazin-1-yl]-[3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methanone?
[4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazin-1-yl]-[3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methanone has a molecular weight of 499.70 g/mol, XLogP of 4.85, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazin-1-yl]-[3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methanone is sourced from PubChem (CID 146146240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).