1-(3,4-dimethylphenyl)sulfonyl-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide

C25H30N4O3S — CID 25487625

IUPAC1-(3,4-dimethylphenyl)sulfonyl-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide
SMILESCc1ccc(Cn2nccc2NC(=O)C2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)cc1
InChIInChI=1S/C25H30N4O3S/c1-18-4-7-21(8-5-18)17-29-24(10-13-26-29)27-25(30)22-11-14-28(15-12-22)33(31,32)23-9-6-19(2)20(3)16-23/h4-10,13,16,22H,11-12,14-15,17H2,1-3H3,(H,27,30)
InChIKeyBCPWWPLXQDAENF-UHFFFAOYSA-N
MW466.61 g/mol
LogP3.90
Rot. Bonds6

About 1-(3,4-dimethylphenyl)sulfonyl-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide

1-(3,4-dimethylphenyl)sulfonyl-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide (PubChem CID 25487625) has the molecular formula C25H30N4O3S and a molecular weight of 466.61 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)sulfonyl-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)sulfonyl-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide
PubChem CID25487625
Molecular FormulaC25H30N4O3S
Molecular Weight466.61 g/mol
Exact Mass466.20
IUPAC Name1-(3,4-dimethylphenyl)sulfonyl-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide
SMILESCc1ccc(Cn2nccc2NC(=O)C2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)cc1
InChIInChI=1S/C25H30N4O3S/c1-18-4-7-21(8-5-18)17-29-24(10-13-26-29)27-25(30)22-11-14-28(15-12-22)33(31,32)23-9-6-19(2)20(3)16-23/h4-10,13,16,22H,11-12,14-15,17H2,1-3H3,(H,27,30)
InChIKeyBCPWWPLXQDAENF-UHFFFAOYSA-N
XLogP3.90
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.61
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(3,4-dimethylphenyl)sulfonyl-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide 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 1-(3,4-dimethylphenyl)sulfonyl-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide?
The IUPAC name of 1-(3,4-dimethylphenyl)sulfonyl-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide (CID 25487625) is 1-(3,4-dimethylphenyl)sulfonyl-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(3,4-dimethylphenyl)sulfonyl-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-(3,4-dimethylphenyl)sulfonyl-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide is Cc1ccc(Cn2nccc2NC(=O)C2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)cc1.
What is the InChIKey of 1-(3,4-dimethylphenyl)sulfonyl-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide?
The InChIKey is BCPWWPLXQDAENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3S/c1-18-4-7-21(8-5-18)17-29-24(10-13-26-29)27-25(30)22-11-14-28(15-12-22)33(31,32)23-9-6-19(2)20(3)16-23/h4-10,13,16,22H,11-12,14-15,17H2,1-3H3,(H,27,30).
What are the key properties of 1-(3,4-dimethylphenyl)sulfonyl-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide?
1-(3,4-dimethylphenyl)sulfonyl-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide has a molecular weight of 466.61 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)sulfonyl-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 25487625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).