N-[1-[1-(4-fluorophenyl)-5-methylpyrazole-4-carbonyl]piperidin-4-yl]methanesulfonamide

C17H21FN4O3S — CID 86924757

IUPACN-[1-[1-(4-fluorophenyl)-5-methylpyrazole-4-carbonyl]piperidin-4-yl]methanesulfonamide
SMILESCc1c(C(=O)N2CCC(NS(C)(=O)=O)CC2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C17H21FN4O3S/c1-12-16(11-19-22(12)15-5-3-13(18)4-6-15)17(23)21-9-7-14(8-10-21)20-26(2,24)25/h3-6,11,14,20H,7-10H2,1-2H3
InChIKeyLPZYOVBCQPPKTO-UHFFFAOYSA-N
MW380.45 g/mol
LogP1.47
Rot. Bonds4

About N-[1-[1-(4-fluorophenyl)-5-methylpyrazole-4-carbonyl]piperidin-4-yl]methanesulfonamide

N-[1-[1-(4-fluorophenyl)-5-methylpyrazole-4-carbonyl]piperidin-4-yl]methanesulfonamide (PubChem CID 86924757) has the molecular formula C17H21FN4O3S and a molecular weight of 380.45 g/mol. Its IUPAC name is N-[1-[1-(4-fluorophenyl)-5-methylpyrazole-4-carbonyl]piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[1-(4-fluorophenyl)-5-methylpyrazole-4-carbonyl]piperidin-4-yl]methanesulfonamide
PubChem CID86924757
Molecular FormulaC17H21FN4O3S
Molecular Weight380.45 g/mol
Exact Mass380.13
IUPAC NameN-[1-[1-(4-fluorophenyl)-5-methylpyrazole-4-carbonyl]piperidin-4-yl]methanesulfonamide
SMILESCc1c(C(=O)N2CCC(NS(C)(=O)=O)CC2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C17H21FN4O3S/c1-12-16(11-19-22(12)15-5-3-13(18)4-6-15)17(23)21-9-7-14(8-10-21)20-26(2,24)25/h3-6,11,14,20H,7-10H2,1-2H3
InChIKeyLPZYOVBCQPPKTO-UHFFFAOYSA-N
XLogP1.47
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(1-aminoethyl)piperidin-1-yl]-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]methanone
CID 119517949
4-fluoro-N-[1-[5-methyl-1-(2-methylphenyl)pyrazole-4-carbonyl]piperidin-4-yl]benzenesulfonamide
CID 34345790
1-[1-(4-fluorophenyl)-5-methylpyrazole-4-carbonyl]-N-propylpiperidine-4-carboxamide
CID 134053554
N-[1-(2-bromo-5-fluorobenzoyl)piperidin-4-yl]methanesulfonamide
CID 60706031
[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-(4-imidazol-1-ylpiperidin-1-yl)methanone
CID 47089042
[4-(4-fluorophenyl)piperazin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 90602016
[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-[4-(2-methoxyphenyl)piperidin-1-yl]methanone
CID 2810787
[1-(4-chlorophenyl)-5-methylpyrazol-4-yl]-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 24629532
[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 119032264
N-[1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]piperidin-4-yl]methanesulfonamide
CID 166916424
N-[1-(5-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]benzamide
CID 34424786
tert-butyl 4-[[1-(4-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]piperidine-1-carboxylate
CID 52731094

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(4-fluorophenyl)-5-methylpyrazole-4-carbonyl]piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-[1-(4-fluorophenyl)-5-methylpyrazole-4-carbonyl]piperidin-4-yl]methanesulfonamide (CID 86924757) is N-[1-[1-(4-fluorophenyl)-5-methylpyrazole-4-carbonyl]piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[1-(4-fluorophenyl)-5-methylpyrazole-4-carbonyl]piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-[1-(4-fluorophenyl)-5-methylpyrazole-4-carbonyl]piperidin-4-yl]methanesulfonamide is Cc1c(C(=O)N2CCC(NS(C)(=O)=O)CC2)cnn1-c1ccc(F)cc1.
What is the InChIKey of N-[1-[1-(4-fluorophenyl)-5-methylpyrazole-4-carbonyl]piperidin-4-yl]methanesulfonamide?
The InChIKey is LPZYOVBCQPPKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O3S/c1-12-16(11-19-22(12)15-5-3-13(18)4-6-15)17(23)21-9-7-14(8-10-21)20-26(2,24)25/h3-6,11,14,20H,7-10H2,1-2H3.
What are the key properties of N-[1-[1-(4-fluorophenyl)-5-methylpyrazole-4-carbonyl]piperidin-4-yl]methanesulfonamide?
N-[1-[1-(4-fluorophenyl)-5-methylpyrazole-4-carbonyl]piperidin-4-yl]methanesulfonamide has a molecular weight of 380.45 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(4-fluorophenyl)-5-methylpyrazole-4-carbonyl]piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 86924757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).