3-(methanesulfonamido)-N-[2-(pyrazol-1-ylmethyl)phenyl]piperidine-1-carboxamide

C17H23N5O3S — CID 47039313

IUPAC3-(methanesulfonamido)-N-[2-(pyrazol-1-ylmethyl)phenyl]piperidine-1-carboxamide
SMILESCS(=O)(=O)NC1CCCN(C(=O)Nc2ccccc2Cn2cccn2)C1
InChIInChI=1S/C17H23N5O3S/c1-26(24,25)20-15-7-4-10-21(13-15)17(23)19-16-8-3-2-6-14(16)12-22-11-5-9-18-22/h2-3,5-6,8-9,11,15,20H,4,7,10,12-13H2,1H3,(H,19,23)
InChIKeyOLCPVVCFRWFZIA-UHFFFAOYSA-N
MW377.47 g/mol
LogP1.48
Rot. Bonds5

About 3-(methanesulfonamido)-N-[2-(pyrazol-1-ylmethyl)phenyl]piperidine-1-carboxamide

3-(methanesulfonamido)-N-[2-(pyrazol-1-ylmethyl)phenyl]piperidine-1-carboxamide (PubChem CID 47039313) has the molecular formula C17H23N5O3S and a molecular weight of 377.47 g/mol. Its IUPAC name is 3-(methanesulfonamido)-N-[2-(pyrazol-1-ylmethyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(methanesulfonamido)-N-[2-(pyrazol-1-ylmethyl)phenyl]piperidine-1-carboxamide
PubChem CID47039313
Molecular FormulaC17H23N5O3S
Molecular Weight377.47 g/mol
Exact Mass377.15
IUPAC Name3-(methanesulfonamido)-N-[2-(pyrazol-1-ylmethyl)phenyl]piperidine-1-carboxamide
SMILESCS(=O)(=O)NC1CCCN(C(=O)Nc2ccccc2Cn2cccn2)C1
InChIInChI=1S/C17H23N5O3S/c1-26(24,25)20-15-7-4-10-21(13-15)17(23)19-16-8-3-2-6-14(16)12-22-11-5-9-18-22/h2-3,5-6,8-9,11,15,20H,4,7,10,12-13H2,1H3,(H,19,23)
InChIKeyOLCPVVCFRWFZIA-UHFFFAOYSA-N
XLogP1.48
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-phenylpyrazol-1-yl)propyl]piperidine-1-carboxamide
CID 118514522
N-[1-(3-phenylpyrazol-1-yl)propan-2-yl]piperidine-1-carboxamide
CID 118514528
N-[2-(3-phenylpyrazol-1-yl)ethyl]piperidine-1-carboxamide
CID 118524339
N-[2-(3-phenylpyrazol-1-yl)ethyl]pyrrolidine-1-carboxamide
CID 123583803
1-methylsulfonyl-N-(4-pyrazol-1-ylphenyl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide
CID 45481642
N-[2-[3-(3-fluorophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide
CID 155518732
N-[2-[3-(2-methylphenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide
CID 155527416
N-[2-[3-(3-methylphenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide
CID 155529255
N-[2-(3-phenylpyrazol-1-yl)ethyl]azepane-1-carboxamide
CID 155531818
N-[2-[3-(2-fluorophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide
CID 155537511
N-[2-[3-(4-fluorophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide
CID 155545623
N-[2-[3-(2,4-difluorophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide
CID 155552451

Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfonamido)-N-[2-(pyrazol-1-ylmethyl)phenyl]piperidine-1-carboxamide?
The IUPAC name of 3-(methanesulfonamido)-N-[2-(pyrazol-1-ylmethyl)phenyl]piperidine-1-carboxamide (CID 47039313) is 3-(methanesulfonamido)-N-[2-(pyrazol-1-ylmethyl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-(methanesulfonamido)-N-[2-(pyrazol-1-ylmethyl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 3-(methanesulfonamido)-N-[2-(pyrazol-1-ylmethyl)phenyl]piperidine-1-carboxamide is CS(=O)(=O)NC1CCCN(C(=O)Nc2ccccc2Cn2cccn2)C1.
What is the InChIKey of 3-(methanesulfonamido)-N-[2-(pyrazol-1-ylmethyl)phenyl]piperidine-1-carboxamide?
The InChIKey is OLCPVVCFRWFZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3S/c1-26(24,25)20-15-7-4-10-21(13-15)17(23)19-16-8-3-2-6-14(16)12-22-11-5-9-18-22/h2-3,5-6,8-9,11,15,20H,4,7,10,12-13H2,1H3,(H,19,23).
What are the key properties of 3-(methanesulfonamido)-N-[2-(pyrazol-1-ylmethyl)phenyl]piperidine-1-carboxamide?
3-(methanesulfonamido)-N-[2-(pyrazol-1-ylmethyl)phenyl]piperidine-1-carboxamide has a molecular weight of 377.47 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfonamido)-N-[2-(pyrazol-1-ylmethyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 47039313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).