N-(4-fluorophenyl)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine-1-carboxamide

C16H19FN4O3S — CID 110214013

IUPACN-(4-fluorophenyl)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine-1-carboxamide
SMILESCS(=O)(=O)c1cn[nH]c1C1CCCN(C(=O)Nc2ccc(F)cc2)C1
InChIInChI=1S/C16H19FN4O3S/c1-25(23,24)14-9-18-20-15(14)11-3-2-8-21(10-11)16(22)19-13-6-4-12(17)5-7-13/h4-7,9,11H,2-3,8,10H2,1H3,(H,18,20)(H,19,22)
InChIKeyLIEUXQYDYRWEJQ-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.36
Rot. Bonds3

About N-(4-fluorophenyl)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine-1-carboxamide

N-(4-fluorophenyl)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine-1-carboxamide (PubChem CID 110214013) has the molecular formula C16H19FN4O3S and a molecular weight of 366.42 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine-1-carboxamide
PubChem CID110214013
Molecular FormulaC16H19FN4O3S
Molecular Weight366.42 g/mol
Exact Mass366.12
IUPAC NameN-(4-fluorophenyl)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine-1-carboxamide
SMILESCS(=O)(=O)c1cn[nH]c1C1CCCN(C(=O)Nc2ccc(F)cc2)C1
InChIInChI=1S/C16H19FN4O3S/c1-25(23,24)14-9-18-20-15(14)11-3-2-8-21(10-11)16(22)19-13-6-4-12(17)5-7-13/h4-7,9,11H,2-3,8,10H2,1H3,(H,18,20)(H,19,22)
InChIKeyLIEUXQYDYRWEJQ-UHFFFAOYSA-N
XLogP2.36
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(5-methylpyrazin-2-yl)-[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95829703
[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 124945178
(2-methylpyrazol-3-yl)-[3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 175652651
(3R)-N-(4-tert-butylsulfanylphenyl)-3-(4-carbamoyl-1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 129324030
5-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-4-methylsulfonyl-1H-pyrazole
CID 127244850
(3S)-N,N-dimethyl-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine-1-sulfonamide
CID 124956608
(3S)-3-(4-acetamido-1H-pyrazol-5-yl)-N-(4-propan-2-ylphenyl)piperidine-1-carboxamide
CID 97343503
1-[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-pyridin-3-ylethanone
CID 95829700
N-[5-[(3R)-1-[2-(4-fluorophenyl)-2-methylpropanoyl]piperidin-3-yl]-1H-pyrazol-4-yl]methanesulfonamide
CID 97343192
2-cyclopropyl-1-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone
CID 124972172
2-(2-methylimidazol-1-yl)-1-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 124957434
(3S)-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide
CID 7333045

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine-1-carboxamide (CID 110214013) is N-(4-fluorophenyl)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine-1-carboxamide is CS(=O)(=O)c1cn[nH]c1C1CCCN(C(=O)Nc2ccc(F)cc2)C1.
What is the InChIKey of N-(4-fluorophenyl)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine-1-carboxamide?
The InChIKey is LIEUXQYDYRWEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O3S/c1-25(23,24)14-9-18-20-15(14)11-3-2-8-21(10-11)16(22)19-13-6-4-12(17)5-7-13/h4-7,9,11H,2-3,8,10H2,1H3,(H,18,20)(H,19,22).
What are the key properties of N-(4-fluorophenyl)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine-1-carboxamide?
N-(4-fluorophenyl)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine-1-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 110214013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).