N-methyl-N-[(1S,2S)-2-methylsulfonylcyclohexyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide

C15H25N3O3S — CID 97085588

IUPACN-methyl-N-[(1S,2S)-2-methylsulfonylcyclohexyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)N(C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)n[nH]1
InChIInChI=1S/C15H25N3O3S/c1-10(2)11-9-12(17-16-11)15(19)18(3)13-7-5-6-8-14(13)22(4,20)21/h9-10,13-14H,5-8H2,1-4H3,(H,16,17)/t13-,14-/m0/s1
InChIKeyPEWSVOWHRVALHS-KBPBESRZSA-N
MW327.45 g/mol
LogP1.96
Rot. Bonds4

About N-methyl-N-[(1S,2S)-2-methylsulfonylcyclohexyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide

N-methyl-N-[(1S,2S)-2-methylsulfonylcyclohexyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 97085588) has the molecular formula C15H25N3O3S and a molecular weight of 327.45 g/mol. Its IUPAC name is N-methyl-N-[(1S,2S)-2-methylsulfonylcyclohexyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(1S,2S)-2-methylsulfonylcyclohexyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
PubChem CID97085588
Molecular FormulaC15H25N3O3S
Molecular Weight327.45 g/mol
Exact Mass327.16
IUPAC NameN-methyl-N-[(1S,2S)-2-methylsulfonylcyclohexyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)N(C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)n[nH]1
InChIInChI=1S/C15H25N3O3S/c1-10(2)11-9-12(17-16-11)15(19)18(3)13-7-5-6-8-14(13)22(4,20)21/h9-10,13-14H,5-8H2,1-4H3,(H,16,17)/t13-,14-/m0/s1
InChIKeyPEWSVOWHRVALHS-KBPBESRZSA-N
XLogP1.96
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-[(1S,2S)-2-methylsulfonylcyclohexyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide with MolForge

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Related Compounds

4-[methyl-[(1S,2S)-2-methylsulfonylcyclohexyl]carbamoyl]benzoic acid
CID 125132908
N,3,5-trimethyl-N-(2-methylsulfonylcyclohexyl)furan-2-carboxamide
CID 71969741
N-methyl-3-[methyl(propan-2-yl)sulfamoyl]-N-[(1R,2R)-2-methylsulfonylcyclohexyl]benzamide
CID 124736707
5-[methyl-[(1S,2R)-2-methylsulfonylcyclohexyl]carbamoyl]pyridine-2-carboxylic acid
CID 125119082
N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 95301857
2-chloro-4-fluoro-N-methyl-N-[(1S,2R)-2-methylsulfonylcyclohexyl]benzamide
CID 96508504
5-amino-N,2-dimethyl-N-(2-methylsulfonylcyclohexyl)benzamide
CID 120635998
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 122169759
4-[methyl-(2-methylsulfonylcyclohexyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120673871
4-fluoro-3-methoxy-N-methyl-N-(2-methylsulfonylcyclohexyl)benzamide
CID 122145136
3-[methyl-(5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]propanoic acid
CID 110835367
N-methyl-N-(2-methylsulfonylcyclohexyl)pyrrolidine-3-carboxamide
CID 119803196

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1S,2S)-2-methylsulfonylcyclohexyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-methyl-N-[(1S,2S)-2-methylsulfonylcyclohexyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide (CID 97085588) is N-methyl-N-[(1S,2S)-2-methylsulfonylcyclohexyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-methyl-N-[(1S,2S)-2-methylsulfonylcyclohexyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-methyl-N-[(1S,2S)-2-methylsulfonylcyclohexyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide is CC(C)c1cc(C(=O)N(C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)n[nH]1.
What is the InChIKey of N-methyl-N-[(1S,2S)-2-methylsulfonylcyclohexyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is PEWSVOWHRVALHS-KBPBESRZSA-N. The full InChI is InChI=1S/C15H25N3O3S/c1-10(2)11-9-12(17-16-11)15(19)18(3)13-7-5-6-8-14(13)22(4,20)21/h9-10,13-14H,5-8H2,1-4H3,(H,16,17)/t13-,14-/m0/s1.
What are the key properties of N-methyl-N-[(1S,2S)-2-methylsulfonylcyclohexyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
N-methyl-N-[(1S,2S)-2-methylsulfonylcyclohexyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 327.45 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1S,2S)-2-methylsulfonylcyclohexyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 97085588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).