N-[1-(1-cyclohexyl-5-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]methanesulfonamide

C16H26N4O3S — CID 127752315

IUPACN-[1-(1-cyclohexyl-5-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]methanesulfonamide
SMILESCc1cc(C(=O)N2CCC(NS(C)(=O)=O)C2)nn1C1CCCCC1
InChIInChI=1S/C16H26N4O3S/c1-12-10-15(17-20(12)14-6-4-3-5-7-14)16(21)19-9-8-13(11-19)18-24(2,22)23/h10,13-14,18H,3-9,11H2,1-2H3
InChIKeyMCOMKZKJVIXLIC-UHFFFAOYSA-N
MW354.48 g/mol
LogP1.46
Rot. Bonds4

About N-[1-(1-cyclohexyl-5-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]methanesulfonamide

N-[1-(1-cyclohexyl-5-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]methanesulfonamide (PubChem CID 127752315) has the molecular formula C16H26N4O3S and a molecular weight of 354.48 g/mol. Its IUPAC name is N-[1-(1-cyclohexyl-5-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(1-cyclohexyl-5-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]methanesulfonamide
PubChem CID127752315
Molecular FormulaC16H26N4O3S
Molecular Weight354.48 g/mol
Exact Mass354.17
IUPAC NameN-[1-(1-cyclohexyl-5-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]methanesulfonamide
SMILESCc1cc(C(=O)N2CCC(NS(C)(=O)=O)C2)nn1C1CCCCC1
InChIInChI=1S/C16H26N4O3S/c1-12-10-15(17-20(12)14-6-4-3-5-7-14)16(21)19-9-8-13(11-19)18-24(2,22)23/h10,13-14,18H,3-9,11H2,1-2H3
InChIKeyMCOMKZKJVIXLIC-UHFFFAOYSA-N
XLogP1.46
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2H-triazole-4-carbonyl)piperidin-3-yl]methanesulfonamide
CID 113226212
N-[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]methanesulfonamide
CID 47184528
N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]methanesulfonamide
CID 108564444
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]methanesulfonamide
CID 51302071
5-[(3S)-3-(methanesulfonamido)piperidine-1-carbonyl]-1-phenylpyrazole-3-carboxylic acid
CID 125152722
5-[(3R)-3-(methanesulfonamido)piperidine-1-carbonyl]-1-phenylpyrazole-3-carboxylic acid
CID 125152721
N-[1-(3,5-dibromobenzoyl)piperidin-3-yl]methanesulfonamide
CID 103907786
N-[1-(4-aminobenzoyl)piperidin-3-yl]methanesulfonamide
CID 60945770
N-[1-(4-chloro-6-methylpyridine-3-carbonyl)piperidin-3-yl]methanesulfonamide
CID 81231053
N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]methanesulfonamide
CID 108567177
(3-chloropyrrolidin-1-yl)-(1,5-dimethylpyrazol-3-yl)methanone
CID 130485656
N-[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methanesulfonamide
CID 95051787

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-cyclohexyl-5-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of N-[1-(1-cyclohexyl-5-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]methanesulfonamide (CID 127752315) is N-[1-(1-cyclohexyl-5-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(1-cyclohexyl-5-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[1-(1-cyclohexyl-5-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]methanesulfonamide is Cc1cc(C(=O)N2CCC(NS(C)(=O)=O)C2)nn1C1CCCCC1.
What is the InChIKey of N-[1-(1-cyclohexyl-5-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]methanesulfonamide?
The InChIKey is MCOMKZKJVIXLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3S/c1-12-10-15(17-20(12)14-6-4-3-5-7-14)16(21)19-9-8-13(11-19)18-24(2,22)23/h10,13-14,18H,3-9,11H2,1-2H3.
What are the key properties of N-[1-(1-cyclohexyl-5-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]methanesulfonamide?
N-[1-(1-cyclohexyl-5-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]methanesulfonamide has a molecular weight of 354.48 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-cyclohexyl-5-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 127752315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).