N-[(1-ethylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-3-carboxamide

C13H22N4O3S — CID 19583462

IUPACN-[(1-ethylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-3-carboxamide
SMILESCCn1cc(CNC(=O)C2CCCN(S(C)(=O)=O)C2)cn1
InChIInChI=1S/C13H22N4O3S/c1-3-16-9-11(8-15-16)7-14-13(18)12-5-4-6-17(10-12)21(2,19)20/h8-9,12H,3-7,10H2,1-2H3,(H,14,18)
InChIKeyPVADPESKZNWNSH-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.19
Rot. Bonds5

About N-[(1-ethylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-3-carboxamide

N-[(1-ethylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-3-carboxamide (PubChem CID 19583462) has the molecular formula C13H22N4O3S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-3-carboxamide
PubChem CID19583462
Molecular FormulaC13H22N4O3S
Molecular Weight314.41 g/mol
Exact Mass314.14
IUPAC NameN-[(1-ethylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-3-carboxamide
SMILESCCn1cc(CNC(=O)C2CCCN(S(C)(=O)=O)C2)cn1
InChIInChI=1S/C13H22N4O3S/c1-3-16-9-11(8-15-16)7-14-13(18)12-5-4-6-17(10-12)21(2,19)20/h8-9,12H,3-7,10H2,1-2H3,(H,14,18)
InChIKeyPVADPESKZNWNSH-UHFFFAOYSA-N
XLogP0.19
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methylsulfonyl-N-(3-pyrazol-1-ylpropyl)piperidine-4-carboxamide
CID 19332404
N-[3-(4-chloro-1H-pyrazol-1-yl)propyl]-1-(methylsulfonyl)piperidine-4-carboxamide
CID 19582153
1-cycloheptyl-N-[(1-ethylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 24817519
N-[3-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]-3-oxopropyl]methanesulfonamide
CID 53566932
N-{1-[2-methyl-3-(1H-pyrazol-1-yl)propanoyl]-4-piperidinyl}methanesulfonamide
CID 70773667
3-(4-methyl-1H-pyrazol-1-yl)-1-{3-[1-(methylsulfonyl)-4-piperidyl]-1-pyrrolidinyl}-1-propanone
CID 91910349
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 54869296
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 71895115
3-N-methyl-3-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1,3-dicarboxamide
CID 71899632
(3S)-1-cycloheptyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 97139220
N-{[1-(propylsulfonyl)piperidin-4-yl]methyl}-3-(1H-pyrazol-1-yl)propanamide
CID 131890431
N'~3~-[(1-Ethyl-5-fluoro-1H-pyrazol-4-YL)methylene]-1-(methylsulfonyl)-3-piperidinecarbohydrazide
CID 119056024

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-3-carboxamide (CID 19583462) is N-[(1-ethylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-3-carboxamide is CCn1cc(CNC(=O)C2CCCN(S(C)(=O)=O)C2)cn1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-3-carboxamide?
The InChIKey is PVADPESKZNWNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3S/c1-3-16-9-11(8-15-16)7-14-13(18)12-5-4-6-17(10-12)21(2,19)20/h8-9,12H,3-7,10H2,1-2H3,(H,14,18).
What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-3-carboxamide?
N-[(1-ethylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-3-carboxamide has a molecular weight of 314.41 g/mol, XLogP of 0.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 19583462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).