3-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-[(1R,2R)-2-methylcyclohexyl]-1H-pyrazole-5-carboxamide

C19H26N4O4S — CID 92736759

IUPAC3-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-[(1R,2R)-2-methylcyclohexyl]-1H-pyrazole-5-carboxamide
SMILESCNS(=O)(=O)c1cc(-c2cc(C(=O)N[C@@H]3CCCC[C@H]3C)[nH]n2)ccc1OC
InChIInChI=1S/C19H26N4O4S/c1-12-6-4-5-7-14(12)21-19(24)16-11-15(22-23-16)13-8-9-17(27-3)18(10-13)28(25,26)20-2/h8-12,14,20H,4-7H2,1-3H3,(H,21,24)(H,22,23)/t12-,14-/m1/s1
InChIKeyPTSXFHPGPQSLCU-TZMCWYRMSA-N
MW406.51 g/mol
LogP2.30
Rot. Bonds6

About 3-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-[(1R,2R)-2-methylcyclohexyl]-1H-pyrazole-5-carboxamide

3-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-[(1R,2R)-2-methylcyclohexyl]-1H-pyrazole-5-carboxamide (PubChem CID 92736759) has the molecular formula C19H26N4O4S and a molecular weight of 406.51 g/mol. Its IUPAC name is 3-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-[(1R,2R)-2-methylcyclohexyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-[(1R,2R)-2-methylcyclohexyl]-1H-pyrazole-5-carboxamide
PubChem CID92736759
Molecular FormulaC19H26N4O4S
Molecular Weight406.51 g/mol
Exact Mass406.17
IUPAC Name3-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-[(1R,2R)-2-methylcyclohexyl]-1H-pyrazole-5-carboxamide
SMILESCNS(=O)(=O)c1cc(-c2cc(C(=O)N[C@@H]3CCCC[C@H]3C)[nH]n2)ccc1OC
InChIInChI=1S/C19H26N4O4S/c1-12-6-4-5-7-14(12)21-19(24)16-11-15(22-23-16)13-8-9-17(27-3)18(10-13)28(25,26)20-2/h8-12,14,20H,4-7H2,1-3H3,(H,21,24)(H,22,23)/t12-,14-/m1/s1
InChIKeyPTSXFHPGPQSLCU-TZMCWYRMSA-N
XLogP2.30
TPSA113.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-[(1R,2R)-2-methylcyclohexyl]-1H-pyrazole-5-carboxamide with MolForge

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Related Compounds

3-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-[(1S,2S)-2-methylcyclohexyl]-1H-pyrazole-5-carboxamide
CID 92736758
N-[(1R,2R)-2-methylcyclohexyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 8889054
N-benzyl-3-[4-methoxy-3-(methylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide
CID 50751622
[(2R)-1-[[(1R,2R)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 4-methoxy-3-(methylsulfamoyl)benzoate
CID 7974492
4-methoxy-N-(2-methylpiperidin-3-yl)-3-(methylsulfamoyl)benzamide
CID 120577876
5-fluoro-2-methoxy-N-[(1R,2S)-2-methylcyclohexyl]benzenesulfonamide
CID 7343981
4-methoxy-3-[[(1R,2S)-2-methylcyclohexyl]sulfamoyl]benzoate
CID 2466564
2,5-dimethoxy-N-[(1R,2R)-2-methylcyclohexyl]benzenesulfonamide
CID 768909
5-tert-butyl-2-methoxy-N-[(1R,2S)-2-methylcyclohexyl]benzenesulfonamide
CID 39116300
2,3,4-trimethoxy-N-[(1S,2R)-2-methylcyclohexyl]benzamide
CID 8023831
N-(5-chloro-2-methoxyphenyl)-4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]benzamide
CID 42997457
[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 3-(tert-butylsulfamoyl)-4-methoxybenzoate
CID 55321626

Frequently Asked Questions

What is the IUPAC name of 3-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-[(1R,2R)-2-methylcyclohexyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-[(1R,2R)-2-methylcyclohexyl]-1H-pyrazole-5-carboxamide (CID 92736759) is 3-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-[(1R,2R)-2-methylcyclohexyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-[(1R,2R)-2-methylcyclohexyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-[(1R,2R)-2-methylcyclohexyl]-1H-pyrazole-5-carboxamide is CNS(=O)(=O)c1cc(-c2cc(C(=O)N[C@@H]3CCCC[C@H]3C)[nH]n2)ccc1OC.
What is the InChIKey of 3-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-[(1R,2R)-2-methylcyclohexyl]-1H-pyrazole-5-carboxamide?
The InChIKey is PTSXFHPGPQSLCU-TZMCWYRMSA-N. The full InChI is InChI=1S/C19H26N4O4S/c1-12-6-4-5-7-14(12)21-19(24)16-11-15(22-23-16)13-8-9-17(27-3)18(10-13)28(25,26)20-2/h8-12,14,20H,4-7H2,1-3H3,(H,21,24)(H,22,23)/t12-,14-/m1/s1.
What are the key properties of 3-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-[(1R,2R)-2-methylcyclohexyl]-1H-pyrazole-5-carboxamide?
3-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-[(1R,2R)-2-methylcyclohexyl]-1H-pyrazole-5-carboxamide has a molecular weight of 406.51 g/mol, XLogP of 2.30, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-[(1R,2R)-2-methylcyclohexyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 92736759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).