[3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone

C28H34N4O — CID 56551223

IUPAC[3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
SMILESCc1ccc(Cn2cc(C(=O)N3CCC(N4CCCC4)CC3)c(-c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C28H34N4O/c1-21-5-9-23(10-6-21)19-32-20-26(27(29-32)24-11-7-22(2)8-12-24)28(33)31-17-13-25(14-18-31)30-15-3-4-16-30/h5-12,20,25H,3-4,13-19H2,1-2H3
InChIKeyUUFLWFWJSXZQID-UHFFFAOYSA-N
MW442.61 g/mol
LogP4.92
Rot. Bonds5

About [3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone

[3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone (PubChem CID 56551223) has the molecular formula C28H34N4O and a molecular weight of 442.61 g/mol. Its IUPAC name is [3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
PubChem CID56551223
Molecular FormulaC28H34N4O
Molecular Weight442.61 g/mol
Exact Mass442.27
IUPAC Name[3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
SMILESCc1ccc(Cn2cc(C(=O)N3CCC(N4CCCC4)CC3)c(-c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C28H34N4O/c1-21-5-9-23(10-6-21)19-32-20-26(27(29-32)24-11-7-22(2)8-12-24)28(33)31-17-13-25(14-18-31)30-15-3-4-16-30/h5-12,20,25H,3-4,13-19H2,1-2H3
InChIKeyUUFLWFWJSXZQID-UHFFFAOYSA-N
XLogP4.92
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.61
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-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

Frequently Asked Questions

What is the IUPAC name of [3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The IUPAC name of [3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone (CID 56551223) is [3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for [3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone is Cc1ccc(Cn2cc(C(=O)N3CCC(N4CCCC4)CC3)c(-c3ccc(C)cc3)n2)cc1.
What is the InChIKey of [3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The InChIKey is UUFLWFWJSXZQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O/c1-21-5-9-23(10-6-21)19-32-20-26(27(29-32)24-11-7-22(2)8-12-24)28(33)31-17-13-25(14-18-31)30-15-3-4-16-30/h5-12,20,25H,3-4,13-19H2,1-2H3.
What are the key properties of [3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
[3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone has a molecular weight of 442.61 g/mol, XLogP of 4.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 56551223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).