N-[(2-ethylpyrazol-3-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide

C13H22N4O3S — CID 19294729

IUPACN-[(2-ethylpyrazol-3-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCCn1nccc1CNC(=O)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C13H22N4O3S/c1-3-17-12(4-7-15-17)10-14-13(18)11-5-8-16(9-6-11)21(2,19)20/h4,7,11H,3,5-6,8-10H2,1-2H3,(H,14,18)
InChIKeyIFVVEHALXHCRIC-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.19
Rot. Bonds5

About N-[(2-ethylpyrazol-3-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide

N-[(2-ethylpyrazol-3-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 19294729) has the molecular formula C13H22N4O3S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-[(2-ethylpyrazol-3-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-ethylpyrazol-3-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID19294729
Molecular FormulaC13H22N4O3S
Molecular Weight314.41 g/mol
Exact Mass314.14
IUPAC NameN-[(2-ethylpyrazol-3-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCCn1nccc1CNC(=O)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C13H22N4O3S/c1-3-17-12(4-7-15-17)10-14-13(18)11-5-8-16(9-6-11)21(2,19)20/h4,7,11H,3,5-6,8-10H2,1-2H3,(H,14,18)
InChIKeyIFVVEHALXHCRIC-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

N-[3-(4-bromo-3-methyl-1H-pyrazol-1-yl)propyl]-1-(methylsulfonyl)piperidine-4-carboxamide
CID 17022877
1-(methylsulfonyl)-N-{3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propyl}piperidine-4-carboxamide
CID 17022949
N-[(2-ethylpyrazol-3-yl)methyl]cyclohexanecarboxamide
CID 19294730
1-methylsulfonyl-N-(3-pyrazol-1-ylpropyl)piperidine-4-carboxamide
CID 19332404
N-[(1-methyl-1H-pyrazol-5-yl)methyl]cyclohexanecarboxamide
CID 19575432
N-[3-(4-chloro-3-methyl-1H-pyrazol-1-yl)propyl]-1-(methylsulfonyl)-4-piperidinecarboxamide
CID 19584299
N-[3-(5-methylpyrazolyl)propyl][1-(methylsulfonyl)(4-piperidyl)]carboxamide
CID 19584324
N-[(2-ethylpyrazol-3-yl)methyl]cyclobutanecarboxamide
CID 35520991
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide
CID 47030010
1-(methylsulfonyl)-N-(2-(3-(trifluoromethyl)-1H-pyrazol-1-yl)ethyl)piperidine-4-carboxamide
CID 71808038
N-((5-cyclopropyl-1-methyl-1H-pyrazol-3-yl)methyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 71808602
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 49738354

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide (CID 19294729) is N-[(2-ethylpyrazol-3-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(2-ethylpyrazol-3-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(2-ethylpyrazol-3-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide is CCn1nccc1CNC(=O)C1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of N-[(2-ethylpyrazol-3-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is IFVVEHALXHCRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3S/c1-3-17-12(4-7-15-17)10-14-13(18)11-5-8-16(9-6-11)21(2,19)20/h4,7,11H,3,5-6,8-10H2,1-2H3,(H,14,18).
What are the key properties of N-[(2-ethylpyrazol-3-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide?
N-[(2-ethylpyrazol-3-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-[(2-ethylpyrazol-3-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 19294729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).