N-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-pyrazol-1-ylbenzamide

C17H22N4O3S — CID 99320484

IUPACN-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-pyrazol-1-ylbenzamide
SMILESCS(=O)(=O)N1CCC(CNC(=O)c2ccccc2-n2cccn2)CC1
InChIInChI=1S/C17H22N4O3S/c1-25(23,24)20-11-7-14(8-12-20)13-18-17(22)15-5-2-3-6-16(15)21-10-4-9-19-21/h2-6,9-10,14H,7-8,11-13H2,1H3,(H,18,22)
InChIKeyHJSBDLVHTHGMBY-UHFFFAOYSA-N
MW362.45 g/mol
LogP1.27
Rot. Bonds5

About N-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-pyrazol-1-ylbenzamide

N-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-pyrazol-1-ylbenzamide (PubChem CID 99320484) has the molecular formula C17H22N4O3S and a molecular weight of 362.45 g/mol. Its IUPAC name is N-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-pyrazol-1-ylbenzamide
PubChem CID99320484
Molecular FormulaC17H22N4O3S
Molecular Weight362.45 g/mol
Exact Mass362.14
IUPAC NameN-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-pyrazol-1-ylbenzamide
SMILESCS(=O)(=O)N1CCC(CNC(=O)c2ccccc2-n2cccn2)CC1
InChIInChI=1S/C17H22N4O3S/c1-25(23,24)20-11-7-14(8-12-20)13-18-17(22)15-5-2-3-6-16(15)21-10-4-9-19-21/h2-6,9-10,14H,7-8,11-13H2,1H3,(H,18,22)
InChIKeyHJSBDLVHTHGMBY-UHFFFAOYSA-N
XLogP1.27
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(6,6-dimethyloxan-2-yl)methyl]-2-pyrazol-1-ylbenzamide
CID 136567701
N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-2-pyrazol-1-ylbenzamide
CID 111663006
2-(2-methylphenyl)-N-[(1-methylsulfonylpiperidin-4-yl)methyl]acetamide
CID 110736272
2-(1-methylsulfonylpiperidin-4-yl)oxy-N-(3-pyrazol-1-ylpropyl)benzamide
CID 25453592
N-hexyl-2-pyrazol-1-ylbenzamide
CID 47213393
N-[(2R)-2-anilinopropyl]-2-pyrazol-1-ylbenzamide
CID 95787834
5-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methylcarbamoyl]thiophene-2-carboxylic acid
CID 129468254
N-[[(1R,8R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-8-yl]methyl]-2-pyrazol-1-ylbenzamide;hydrochloride
CID 171711922
1-methylsulfonyl-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]piperidine-4-carboxamide
CID 122292675
N-(cyclopropylmethyl)-1-methylsulfonyl-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 155874326
N-(2-methyl-3-pyrazol-1-ylpropyl)-2-pyrazol-1-ylbenzamide
CID 86824371
1-[(2-chlorophenyl)methyl]-3-[(1-methylsulfonylpiperidin-4-yl)methyl]urea
CID 51130150

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-pyrazol-1-ylbenzamide?
The IUPAC name of N-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-pyrazol-1-ylbenzamide (CID 99320484) is N-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-pyrazol-1-ylbenzamide?
The canonical SMILES for N-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-pyrazol-1-ylbenzamide is CS(=O)(=O)N1CCC(CNC(=O)c2ccccc2-n2cccn2)CC1.
What is the InChIKey of N-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-pyrazol-1-ylbenzamide?
The InChIKey is HJSBDLVHTHGMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-25(23,24)20-11-7-14(8-12-20)13-18-17(22)15-5-2-3-6-16(15)21-10-4-9-19-21/h2-6,9-10,14H,7-8,11-13H2,1H3,(H,18,22).
What are the key properties of N-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-pyrazol-1-ylbenzamide?
N-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-pyrazol-1-ylbenzamide has a molecular weight of 362.45 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-pyrazol-1-ylbenzamide is sourced from PubChem (CID 99320484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).