(3S)-1-(4-fluorophenyl)sulfonyl-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)piperidine-3-carboxamide

C19H25FN4O3S — CID 42110626

IUPAC(3S)-1-(4-fluorophenyl)sulfonyl-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)piperidine-3-carboxamide
SMILESCc1cc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)n(C(C)C)n1
InChIInChI=1S/C19H25FN4O3S/c1-13(2)24-18(11-14(3)22-24)21-19(25)15-5-4-10-23(12-15)28(26,27)17-8-6-16(20)7-9-17/h6-9,11,13,15H,4-5,10,12H2,1-3H3,(H,21,25)/t15-/m0/s1
InChIKeyMPENSKINVUMHCO-HNNXBMFYSA-N
MW408.50 g/mol
LogP2.95
Rot. Bonds5

About (3S)-1-(4-fluorophenyl)sulfonyl-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)piperidine-3-carboxamide

(3S)-1-(4-fluorophenyl)sulfonyl-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)piperidine-3-carboxamide (PubChem CID 42110626) has the molecular formula C19H25FN4O3S and a molecular weight of 408.50 g/mol. Its IUPAC name is (3S)-1-(4-fluorophenyl)sulfonyl-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(4-fluorophenyl)sulfonyl-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)piperidine-3-carboxamide
PubChem CID42110626
Molecular FormulaC19H25FN4O3S
Molecular Weight408.50 g/mol
Exact Mass408.16
IUPAC Name(3S)-1-(4-fluorophenyl)sulfonyl-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)piperidine-3-carboxamide
SMILESCc1cc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)n(C(C)C)n1
InChIInChI=1S/C19H25FN4O3S/c1-13(2)24-18(11-14(3)22-24)21-19(25)15-5-4-10-23(12-15)28(26,27)17-8-6-16(20)7-9-17/h6-9,11,13,15H,4-5,10,12H2,1-3H3,(H,21,25)/t15-/m0/s1
InChIKeyMPENSKINVUMHCO-HNNXBMFYSA-N
XLogP2.95
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(benzenesulfonyl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]piperidine-3-carboxamide
CID 112822135
(3R)-1-(4-fluorophenyl)sulfonyl-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide
CID 26687885
(3S)-N-(2,5-dimethylpyrazol-3-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 42109687
(3R)-1-(4-fluorophenyl)sulfonyl-N-(4-methylphenyl)piperidine-3-carboxamide
CID 40639334
1-(4-fluorophenyl)sulfonyl-N-[4-(2-methylpropanoylamino)phenyl]piperidine-3-carboxamide
CID 55406646
1-(4-fluorophenyl)sulfonyl-N-(1-methylpyrazol-3-yl)piperidine-3-carboxamide
CID 51238050
(3S)-1-(4-fluorophenyl)sulfonyl-N-(2-methylphenyl)piperidine-3-carboxamide
CID 7371815
N-(2-tert-butyl-5-methylpyrazol-3-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 55796302
(3R)-1-(4-fluorophenyl)sulfonyl-N-pyridin-4-ylpiperidine-3-carboxamide
CID 41008721
(3S)-1-(4-fluorophenyl)sulfonyl-N-pyridin-4-ylpiperidine-3-carboxamide
CID 41008719
(3R)-1-(4-fluorophenyl)sulfonyl-N-(2-methylpropyl)piperidine-3-carboxamide
CID 27539403
(3S)-N-[(2R)-butan-2-yl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 40554296

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-fluorophenyl)sulfonyl-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(4-fluorophenyl)sulfonyl-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)piperidine-3-carboxamide (CID 42110626) is (3S)-1-(4-fluorophenyl)sulfonyl-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(4-fluorophenyl)sulfonyl-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(4-fluorophenyl)sulfonyl-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)piperidine-3-carboxamide is Cc1cc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)n(C(C)C)n1.
What is the InChIKey of (3S)-1-(4-fluorophenyl)sulfonyl-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)piperidine-3-carboxamide?
The InChIKey is MPENSKINVUMHCO-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H25FN4O3S/c1-13(2)24-18(11-14(3)22-24)21-19(25)15-5-4-10-23(12-15)28(26,27)17-8-6-16(20)7-9-17/h6-9,11,13,15H,4-5,10,12H2,1-3H3,(H,21,25)/t15-/m0/s1.
What are the key properties of (3S)-1-(4-fluorophenyl)sulfonyl-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)piperidine-3-carboxamide?
(3S)-1-(4-fluorophenyl)sulfonyl-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)piperidine-3-carboxamide has a molecular weight of 408.50 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-fluorophenyl)sulfonyl-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 42110626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).