N-[1-(ethoxymethyl)pyrazol-4-yl]-1-methylsulfonylpiperidine-4-carboxamide

C13H22N4O4S — CID 19582140

IUPACN-[1-(ethoxymethyl)pyrazol-4-yl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCCOCn1cc(NC(=O)C2CCN(S(C)(=O)=O)CC2)cn1
InChIInChI=1S/C13H22N4O4S/c1-3-21-10-16-9-12(8-14-16)15-13(18)11-4-6-17(7-5-11)22(2,19)20/h8-9,11H,3-7,10H2,1-2H3,(H,15,18)
InChIKeyBAKMUUKBGQYCAH-UHFFFAOYSA-N
MW330.41 g/mol
LogP0.49
Rot. Bonds6

About N-[1-(ethoxymethyl)pyrazol-4-yl]-1-methylsulfonylpiperidine-4-carboxamide

N-[1-(ethoxymethyl)pyrazol-4-yl]-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 19582140) has the molecular formula C13H22N4O4S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-[1-(ethoxymethyl)pyrazol-4-yl]-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(ethoxymethyl)pyrazol-4-yl]-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID19582140
Molecular FormulaC13H22N4O4S
Molecular Weight330.41 g/mol
Exact Mass330.14
IUPAC NameN-[1-(ethoxymethyl)pyrazol-4-yl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCCOCn1cc(NC(=O)C2CCN(S(C)(=O)=O)CC2)cn1
InChIInChI=1S/C13H22N4O4S/c1-3-21-10-16-9-12(8-14-16)15-13(18)11-4-6-17(7-5-11)22(2,19)20/h8-9,11H,3-7,10H2,1-2H3,(H,15,18)
InChIKeyBAKMUUKBGQYCAH-UHFFFAOYSA-N
XLogP0.49
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methylsulfonyl-N-(3-pyrazol-1-ylpropyl)piperidine-4-carboxamide
CID 19332404
1-(methylsulfonyl)-N-{1-[(2,2,2-trifluoroethoxy)methyl]-1H-pyrazol-4-yl}piperidine-3-carboxamide
CID 19583515
N-(1-ethylpyrazol-4-yl)-1-(2-propan-2-yloxyethyl)piperidine-4-carboxamide
CID 53551040
N-(1-ethylpyrazol-4-yl)-1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 53602398
N-(1-ethyl-1H-pyrazol-4-yl)piperidine-4-carboxamide dihydrochloride
CID 45792389
2-(N-methylmethanesulfonamido)-N-{1-[(oxan-4-yl)methyl]-1H-pyrazol-4-yl}acetamide
CID 90622250
(4S)-N-(1-ethylpyrazol-4-yl)-1-methyl-2-oxopiperidine-4-carboxamide
CID 97311350
(3S)-1-[(1-methylpyrazol-4-yl)sulfamoyl]piperidine-3-carboxamide
CID 172908615
1-(Methylsulfonyl)-N~4~-{1-[(2,2,2-trifluoroethoxy)methyl]-1H-pyrazol-4-YL}-4-piperidinecarboxamide
CID 19582041
(3R)-1-methylsulfonyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]piperidine-3-carboxamide
CID 40446140
(3S)-1-methylsulfonyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]piperidine-3-carboxamide
CID 40446141
N-(1-ethyl-1H-pyrazol-4-yl)piperidine-4-carboxamide
CID 43543662

Frequently Asked Questions

What is the IUPAC name of N-[1-(ethoxymethyl)pyrazol-4-yl]-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[1-(ethoxymethyl)pyrazol-4-yl]-1-methylsulfonylpiperidine-4-carboxamide (CID 19582140) is N-[1-(ethoxymethyl)pyrazol-4-yl]-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[1-(ethoxymethyl)pyrazol-4-yl]-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[1-(ethoxymethyl)pyrazol-4-yl]-1-methylsulfonylpiperidine-4-carboxamide is CCOCn1cc(NC(=O)C2CCN(S(C)(=O)=O)CC2)cn1.
What is the InChIKey of N-[1-(ethoxymethyl)pyrazol-4-yl]-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is BAKMUUKBGQYCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O4S/c1-3-21-10-16-9-12(8-14-16)15-13(18)11-4-6-17(7-5-11)22(2,19)20/h8-9,11H,3-7,10H2,1-2H3,(H,15,18).
What are the key properties of N-[1-(ethoxymethyl)pyrazol-4-yl]-1-methylsulfonylpiperidine-4-carboxamide?
N-[1-(ethoxymethyl)pyrazol-4-yl]-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 330.41 g/mol, XLogP of 0.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(ethoxymethyl)pyrazol-4-yl]-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 19582140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).