3-cyclohexyl-1-methyl-N-(oxan-3-ylmethylsulfonyl)pyrazole-4-carboxamide

C17H27N3O4S — CID 136542046

IUPAC3-cyclohexyl-1-methyl-N-(oxan-3-ylmethylsulfonyl)pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NS(=O)(=O)CC2CCCOC2)c(C2CCCCC2)n1
InChIInChI=1S/C17H27N3O4S/c1-20-10-15(16(18-20)14-7-3-2-4-8-14)17(21)19-25(22,23)12-13-6-5-9-24-11-13/h10,13-14H,2-9,11-12H2,1H3,(H,19,21)
InChIKeyOXQBJIGDXNXWLW-UHFFFAOYSA-N
MW369.49 g/mol
LogP1.95
Rot. Bonds5

About 3-cyclohexyl-1-methyl-N-(oxan-3-ylmethylsulfonyl)pyrazole-4-carboxamide

3-cyclohexyl-1-methyl-N-(oxan-3-ylmethylsulfonyl)pyrazole-4-carboxamide (PubChem CID 136542046) has the molecular formula C17H27N3O4S and a molecular weight of 369.49 g/mol. Its IUPAC name is 3-cyclohexyl-1-methyl-N-(oxan-3-ylmethylsulfonyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-cyclohexyl-1-methyl-N-(oxan-3-ylmethylsulfonyl)pyrazole-4-carboxamide
PubChem CID136542046
Molecular FormulaC17H27N3O4S
Molecular Weight369.49 g/mol
Exact Mass369.17
IUPAC Name3-cyclohexyl-1-methyl-N-(oxan-3-ylmethylsulfonyl)pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NS(=O)(=O)CC2CCCOC2)c(C2CCCCC2)n1
InChIInChI=1S/C17H27N3O4S/c1-20-10-15(16(18-20)14-7-3-2-4-8-14)17(21)19-25(22,23)12-13-6-5-9-24-11-13/h10,13-14H,2-9,11-12H2,1H3,(H,19,21)
InChIKeyOXQBJIGDXNXWLW-UHFFFAOYSA-N
XLogP1.95
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclobutylsulfonyl-1-methyl-3-(oxolan-3-yl)pyrazole-4-carboxamide
CID 136538400
3-cyclopentyl-1-methyl-N-pyridin-2-ylsulfonylpyrazole-4-carboxamide
CID 146104183
N-(oxan-3-ylmethylsulfonyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide
CID 138001801
3-[(3-cyclohexyl-1-methylpyrazole-4-carbonyl)amino]butanoic acid
CID 119347771
N-[(4,4-dimethylcyclohexyl)methyl]-1-methyl-3-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide
CID 129341540
7-[(3-cyclohexyl-1-methylpyrazole-4-carbonyl)amino]heptanoic acid
CID 119350736
ethyl 3-cyclohexyl-1-methylpyrazole-4-carboxylate
CID 146167576
(1,3-dimethylpyrazol-4-yl)-(oxan-3-yl)methanone
CID 107138570
5-cyclopropyl-N-(oxolan-3-ylmethylsulfonyl)-2-phenyl-1,3-oxazole-4-carboxamide
CID 102560873
N-[[(3R)-oxolan-3-yl]methylsulfonyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 99704181
1-methyl-3-(oxolan-3-yl)-N-(1-propylpiperidin-4-yl)pyrazole-4-carboxamide
CID 128995752
(3-cyclohexyl-1-methylpyrazol-4-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95292675

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-methyl-N-(oxan-3-ylmethylsulfonyl)pyrazole-4-carboxamide?
The IUPAC name of 3-cyclohexyl-1-methyl-N-(oxan-3-ylmethylsulfonyl)pyrazole-4-carboxamide (CID 136542046) is 3-cyclohexyl-1-methyl-N-(oxan-3-ylmethylsulfonyl)pyrazole-4-carboxamide.
What is the SMILES notation for 3-cyclohexyl-1-methyl-N-(oxan-3-ylmethylsulfonyl)pyrazole-4-carboxamide?
The canonical SMILES for 3-cyclohexyl-1-methyl-N-(oxan-3-ylmethylsulfonyl)pyrazole-4-carboxamide is Cn1cc(C(=O)NS(=O)(=O)CC2CCCOC2)c(C2CCCCC2)n1.
What is the InChIKey of 3-cyclohexyl-1-methyl-N-(oxan-3-ylmethylsulfonyl)pyrazole-4-carboxamide?
The InChIKey is OXQBJIGDXNXWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4S/c1-20-10-15(16(18-20)14-7-3-2-4-8-14)17(21)19-25(22,23)12-13-6-5-9-24-11-13/h10,13-14H,2-9,11-12H2,1H3,(H,19,21).
What are the key properties of 3-cyclohexyl-1-methyl-N-(oxan-3-ylmethylsulfonyl)pyrazole-4-carboxamide?
3-cyclohexyl-1-methyl-N-(oxan-3-ylmethylsulfonyl)pyrazole-4-carboxamide has a molecular weight of 369.49 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-methyl-N-(oxan-3-ylmethylsulfonyl)pyrazole-4-carboxamide is sourced from PubChem (CID 136542046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).