(3S)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide

C18H21F3N4O3S — CID 92661322

IUPAC(3S)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C18H21F3N4O3S/c1-11-16(12(2)24-23-11)29(27,28)25-9-3-4-13(10-25)17(26)22-15-7-5-14(6-8-15)18(19,20)21/h5-8,13H,3-4,9-10H2,1-2H3,(H,22,26)(H,23,24)/t13-/m0/s1
InChIKeyWEHRLXSRNDGFJZ-ZDUSSCGKSA-N
MW430.45 g/mol
LogP3.08
Rot. Bonds4

About (3S)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide

(3S)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide (PubChem CID 92661322) has the molecular formula C18H21F3N4O3S and a molecular weight of 430.45 g/mol. Its IUPAC name is (3S)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide
PubChem CID92661322
Molecular FormulaC18H21F3N4O3S
Molecular Weight430.45 g/mol
Exact Mass430.13
IUPAC Name(3S)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C18H21F3N4O3S/c1-11-16(12(2)24-23-11)29(27,28)25-9-3-4-13(10-25)17(26)22-15-7-5-14(6-8-15)18(19,20)21/h5-8,13H,3-4,9-10H2,1-2H3,(H,22,26)(H,23,24)/t13-/m0/s1
InChIKeyWEHRLXSRNDGFJZ-ZDUSSCGKSA-N
XLogP3.08
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.45
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(4-fluorophenyl)piperidine-3-carboxamide
CID 110335805
1-ethylsulfonyl-N-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 17018131
N-(2,4-difluorophenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 110335810
1-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]ethanone
CID 63845404
N-cyclopentyl-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 110335763
methyl (3S)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxylate
CID 115536279
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-prop-2-enylpiperidine-3-carboxamide
CID 110335758
N-benzyl-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 110335778
N-(2-cyanophenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 110335811
1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 42653693
4-[[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carbonyl]amino]butanoic acid
CID 119352502
(3S)-1-[[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]-N-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 97044155

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide (CID 92661322) is (3S)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide is Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of (3S)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
The InChIKey is WEHRLXSRNDGFJZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H21F3N4O3S/c1-11-16(12(2)24-23-11)29(27,28)25-9-3-4-13(10-25)17(26)22-15-7-5-14(6-8-15)18(19,20)21/h5-8,13H,3-4,9-10H2,1-2H3,(H,22,26)(H,23,24)/t13-/m0/s1.
What are the key properties of (3S)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
(3S)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide has a molecular weight of 430.45 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 92661322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).