1-(4-methoxyphenyl)-N-[1-(2-methylsulfonylphenyl)piperidin-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide

C24H25F3N4O4S — CID 23648146

IUPAC1-(4-methoxyphenyl)-N-[1-(2-methylsulfonylphenyl)piperidin-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCOc1ccc(-n2nc(C(F)(F)F)cc2C(=O)NC2CCN(c3ccccc3S(C)(=O)=O)CC2)cc1
InChIInChI=1S/C24H25F3N4O4S/c1-35-18-9-7-17(8-10-18)31-20(15-22(29-31)24(25,26)27)23(32)28-16-11-13-30(14-12-16)19-5-3-4-6-21(19)36(2,33)34/h3-10,15-16H,11-14H2,1-2H3,(H,28,32)
InChIKeyMJEWRMPWUXPMDB-UHFFFAOYSA-N
MW522.55 g/mol
LogP3.70
Rot. Bonds6

About 1-(4-methoxyphenyl)-N-[1-(2-methylsulfonylphenyl)piperidin-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide

1-(4-methoxyphenyl)-N-[1-(2-methylsulfonylphenyl)piperidin-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 23648146) has the molecular formula C24H25F3N4O4S and a molecular weight of 522.55 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-[1-(2-methylsulfonylphenyl)piperidin-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-[1-(2-methylsulfonylphenyl)piperidin-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID23648146
Molecular FormulaC24H25F3N4O4S
Molecular Weight522.55 g/mol
Exact Mass522.15
IUPAC Name1-(4-methoxyphenyl)-N-[1-(2-methylsulfonylphenyl)piperidin-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCOc1ccc(-n2nc(C(F)(F)F)cc2C(=O)NC2CCN(c3ccccc3S(C)(=O)=O)CC2)cc1
InChIInChI=1S/C24H25F3N4O4S/c1-35-18-9-7-17(8-10-18)31-20(15-22(29-31)24(25,26)27)23(32)28-16-11-13-30(14-12-16)19-5-3-4-6-21(19)36(2,33)34/h3-10,15-16H,11-14H2,1-2H3,(H,28,32)
InChIKeyMJEWRMPWUXPMDB-UHFFFAOYSA-N
XLogP3.70
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.55
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(4-methoxyphenyl)-N-[1-(2-methylsulfonylphenyl)piperidin-4-yl]-3-(trifluoromethyl)pyrazole-5-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-(4-methoxyphenyl)-N-[1-(2-methylsulfonylphenyl)piperidin-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)-N-[1-(2-methylsulfonylphenyl)piperidin-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 23648146) is 1-(4-methoxyphenyl)-N-[1-(2-methylsulfonylphenyl)piperidin-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-[1-(2-methylsulfonylphenyl)piperidin-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)-N-[1-(2-methylsulfonylphenyl)piperidin-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide is COc1ccc(-n2nc(C(F)(F)F)cc2C(=O)NC2CCN(c3ccccc3S(C)(=O)=O)CC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-[1-(2-methylsulfonylphenyl)piperidin-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is MJEWRMPWUXPMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O4S/c1-35-18-9-7-17(8-10-18)31-20(15-22(29-31)24(25,26)27)23(32)28-16-11-13-30(14-12-16)19-5-3-4-6-21(19)36(2,33)34/h3-10,15-16H,11-14H2,1-2H3,(H,28,32).
What are the key properties of 1-(4-methoxyphenyl)-N-[1-(2-methylsulfonylphenyl)piperidin-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
1-(4-methoxyphenyl)-N-[1-(2-methylsulfonylphenyl)piperidin-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 522.55 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-[1-(2-methylsulfonylphenyl)piperidin-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 23648146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).