1-(3-cyanophenyl)-N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide

C17H19N5O3S — CID 129000207

IUPAC1-(3-cyanophenyl)-N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide
SMILESCn1nccc1N1CCCC(NS(=O)(=O)Cc2cccc(C#N)c2)C1=O
InChIInChI=1S/C17H19N5O3S/c1-21-16(7-8-19-21)22-9-3-6-15(17(22)23)20-26(24,25)12-14-5-2-4-13(10-14)11-18/h2,4-5,7-8,10,15,20H,3,6,9,12H2,1H3
InChIKeyBXTPIWQVBKGKOE-UHFFFAOYSA-N
MW373.44 g/mol
LogP0.91
Rot. Bonds5

About 1-(3-cyanophenyl)-N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide

1-(3-cyanophenyl)-N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide (PubChem CID 129000207) has the molecular formula C17H19N5O3S and a molecular weight of 373.44 g/mol. Its IUPAC name is 1-(3-cyanophenyl)-N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name1-(3-cyanophenyl)-N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide
PubChem CID129000207
Molecular FormulaC17H19N5O3S
Molecular Weight373.44 g/mol
Exact Mass373.12
IUPAC Name1-(3-cyanophenyl)-N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide
SMILESCn1nccc1N1CCCC(NS(=O)(=O)Cc2cccc(C#N)c2)C1=O
InChIInChI=1S/C17H19N5O3S/c1-21-16(7-8-19-21)22-9-3-6-15(17(22)23)20-26(24,25)12-14-5-2-4-13(10-14)11-18/h2,4-5,7-8,10,15,20H,3,6,9,12H2,1H3
InChIKeyBXTPIWQVBKGKOE-UHFFFAOYSA-N
XLogP0.91
TPSA108.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(3-cyanophenyl)-N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-cyanophenyl)-N-[(3R)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide
CID 129399893
1-(2,6-difluorophenyl)-N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide
CID 128999468
N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1-(oxolan-2-yl)methanesulfonamide
CID 129003523
N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]naphthalene-1-sulfonamide
CID 129000198
6-cyano-N-[(3R)-1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]pyridine-3-sulfonamide
CID 129327545
N-[(3S)-1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]naphthalene-2-sulfonamide
CID 129326844
N-[(2-cyanophenyl)methyl]-N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide
CID 128995750
N-[(2-cyanophenyl)methyl]-N-[(3R)-1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide
CID 129328019
1-(3-cyanophenyl)-N-(2-methylpiperidin-3-yl)methanesulfonamide
CID 114695190
3-[[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]benzonitrile
CID 51104304
6-cyano-N-[1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]pyridine-3-sulfonamide
CID 129002559
(3R)-3-[[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1-(2-methylpyrazol-3-yl)piperidin-2-one
CID 99795179

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyanophenyl)-N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide?
The IUPAC name of 1-(3-cyanophenyl)-N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide (CID 129000207) is 1-(3-cyanophenyl)-N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide.
What is the SMILES notation for 1-(3-cyanophenyl)-N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide?
The canonical SMILES for 1-(3-cyanophenyl)-N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide is Cn1nccc1N1CCCC(NS(=O)(=O)Cc2cccc(C#N)c2)C1=O.
What is the InChIKey of 1-(3-cyanophenyl)-N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide?
The InChIKey is BXTPIWQVBKGKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3S/c1-21-16(7-8-19-21)22-9-3-6-15(17(22)23)20-26(24,25)12-14-5-2-4-13(10-14)11-18/h2,4-5,7-8,10,15,20H,3,6,9,12H2,1H3.
What are the key properties of 1-(3-cyanophenyl)-N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide?
1-(3-cyanophenyl)-N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide has a molecular weight of 373.44 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyanophenyl)-N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 129000207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).