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

C13H22N4O3S — CID 19582267

IUPACN-[(1-ethylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCCn1cc(CNC(=O)C2CCN(S(C)(=O)=O)CC2)cn1
InChIInChI=1S/C13H22N4O3S/c1-3-16-10-11(9-15-16)8-14-13(18)12-4-6-17(7-5-12)21(2,19)20/h9-10,12H,3-8H2,1-2H3,(H,14,18)
InChIKeyXEEMFKBWDXOVDG-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.19
Rot. Bonds5

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

N-[(1-ethylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 19582267) 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-4-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID19582267
Molecular FormulaC13H22N4O3S
Molecular Weight314.41 g/mol
Exact Mass314.14
IUPAC NameN-[(1-ethylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCCn1cc(CNC(=O)C2CCN(S(C)(=O)=O)CC2)cn1
InChIInChI=1S/C13H22N4O3S/c1-3-16-10-11(9-15-16)8-14-13(18)12-4-6-17(7-5-12)21(2,19)20/h9-10,12H,3-8H2,1-2H3,(H,14,18)
InChIKeyXEEMFKBWDXOVDG-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

2-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]butanamide
CID 19290567
1-methylsulfonyl-N-(3-pyrazol-1-ylpropyl)piperidine-4-carboxamide
CID 19332404
N-[1-(ethoxymethyl)-1H-pyrazol-4-yl]-1-(methylsulfonyl)piperidine-4-carboxamide
CID 19582140
N-[3-(4-chloro-1H-pyrazol-1-yl)propyl]-1-(methylsulfonyl)piperidine-4-carboxamide
CID 19582153
(4-((1H-pyrazol-1-yl)methyl)piperidin-1-yl)(1-(methylsulfonyl)piperidin-4-yl)methanone
CID 52906708
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
1-methyl-N-(piperidin-4-ylmethyl)-1H-pyrazole-4-carboxamide
CID 28742812
3-(4-methyl-1H-pyrazol-1-yl)-1-{3-[1-(methylsulfonyl)-4-piperidyl]-1-pyrrolidinyl}-1-propanone
CID 91910349
N-[[(3S,4R)-3-(dimethylamino)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]acetamide
CID 91920924
5-[1-(1-Methylpyrazole-4-carbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one
CID 110201713
5-{1-[(1-Ethyl-1H-pyrazol-4-YL)sulfonyl]piperidine-4-carbonyl}-1,5-diazacycloundecan-2-one
CID 110201741

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide (CID 19582267) is N-[(1-ethylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide is CCn1cc(CNC(=O)C2CCN(S(C)(=O)=O)CC2)cn1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is XEEMFKBWDXOVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3S/c1-3-16-10-11(9-15-16)8-14-13(18)12-4-6-17(7-5-12)21(2,19)20/h9-10,12H,3-8H2,1-2H3,(H,14,18).
What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide?
N-[(1-ethylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-4-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-4-carboxamide is sourced from PubChem (CID 19582267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).