1-(1-benzylpiperidin-4-yl)-N-(3-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

C24H25F3N4O3S — CID 11398037

IUPAC1-(1-benzylpiperidin-4-yl)-N-(3-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCS(=O)(=O)c1cccc(NC(=O)c2cnn(C3CCN(Cc4ccccc4)CC3)c2C(F)(F)F)c1
InChIInChI=1S/C24H25F3N4O3S/c1-35(33,34)20-9-5-8-18(14-20)29-23(32)21-15-28-31(22(21)24(25,26)27)19-10-12-30(13-11-19)16-17-6-3-2-4-7-17/h2-9,14-15,19H,10-13,16H2,1H3,(H,29,32)
InChIKeyUHUKPORCSLIULB-UHFFFAOYSA-N
MW506.55 g/mol
LogP4.39
Rot. Bonds6

About 1-(1-benzylpiperidin-4-yl)-N-(3-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

1-(1-benzylpiperidin-4-yl)-N-(3-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 11398037) has the molecular formula C24H25F3N4O3S and a molecular weight of 506.55 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-4-yl)-N-(3-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(1-benzylpiperidin-4-yl)-N-(3-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID11398037
Molecular FormulaC24H25F3N4O3S
Molecular Weight506.55 g/mol
Exact Mass506.16
IUPAC Name1-(1-benzylpiperidin-4-yl)-N-(3-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCS(=O)(=O)c1cccc(NC(=O)c2cnn(C3CCN(Cc4ccccc4)CC3)c2C(F)(F)F)c1
InChIInChI=1S/C24H25F3N4O3S/c1-35(33,34)20-9-5-8-18(14-20)29-23(32)21-15-28-31(22(21)24(25,26)27)19-10-12-30(13-11-19)16-17-6-3-2-4-7-17/h2-9,14-15,19H,10-13,16H2,1H3,(H,29,32)
InChIKeyUHUKPORCSLIULB-UHFFFAOYSA-N
XLogP4.39
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.55
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R,4S)-1-benzyl-N-(3-methylsulfonylphenyl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 124858805
1-(2-fluorophenyl)-N-[3-(piperidin-1-ylmethyl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112821467
1-(4-chlorophenyl)-N-[3-(cyclopropylsulfamoyl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 58866198
N-(3-methylsulfonylphenyl)-2-phenoxy-5-(trifluoromethyl)pyridine-3-carboxamide
CID 150197509
N-(3-methylsulfonylphenyl)-1-(oxan-4-ylmethyl)-4-(trifluoromethyl)pyrazole-5-carboxamide
CID 167239510
1-(1-benzylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 3848011
1-methyl-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 86839426
3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-[4-(trifluoromethyl)phenyl]benzamide
CID 43924856
1-[(3-methylsulfonylphenyl)methyl]-4-(trifluoromethyl)piperazine
CID 91002735
1-methyl-N-(3-methylsulfonylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 33159734
3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-(3,4-dichlorophenyl)benzamide
CID 38096110
1-[1-[[6-[4-(methanesulfonamido)phenoxy]-3-pyridinyl]methyl]piperidin-4-yl]-3-(3-methylsulfonylphenyl)-1-phenylurea
CID 66814644

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidin-4-yl)-N-(3-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(1-benzylpiperidin-4-yl)-N-(3-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 11398037) is 1-(1-benzylpiperidin-4-yl)-N-(3-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(1-benzylpiperidin-4-yl)-N-(3-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(1-benzylpiperidin-4-yl)-N-(3-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide is CS(=O)(=O)c1cccc(NC(=O)c2cnn(C3CCN(Cc4ccccc4)CC3)c2C(F)(F)F)c1.
What is the InChIKey of 1-(1-benzylpiperidin-4-yl)-N-(3-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is UHUKPORCSLIULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O3S/c1-35(33,34)20-9-5-8-18(14-20)29-23(32)21-15-28-31(22(21)24(25,26)27)19-10-12-30(13-11-19)16-17-6-3-2-4-7-17/h2-9,14-15,19H,10-13,16H2,1H3,(H,29,32).
What are the key properties of 1-(1-benzylpiperidin-4-yl)-N-(3-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
1-(1-benzylpiperidin-4-yl)-N-(3-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 506.55 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpiperidin-4-yl)-N-(3-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 11398037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).