1-cyclohexyl-3-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]sulfonylurea

C19H24N4O4S — CID 13224090

IUPAC1-cyclohexyl-3-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]sulfonylurea
SMILESCc1cc(C)n(C(=O)c2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2)n1
InChIInChI=1S/C19H24N4O4S/c1-13-12-14(2)23(21-13)18(24)15-8-10-17(11-9-15)28(26,27)22-19(25)20-16-6-4-3-5-7-16/h8-12,16H,3-7H2,1-2H3,(H2,20,22,25)
InChIKeyBFPWNPALLPNDRJ-UHFFFAOYSA-N
MW404.49 g/mol
LogP2.51
Rot. Bonds4

About 1-cyclohexyl-3-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]sulfonylurea

1-cyclohexyl-3-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]sulfonylurea (PubChem CID 13224090) has the molecular formula C19H24N4O4S and a molecular weight of 404.49 g/mol. Its IUPAC name is 1-cyclohexyl-3-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]sulfonylurea.

Molecular Properties

Compound Name1-cyclohexyl-3-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]sulfonylurea
PubChem CID13224090
Molecular FormulaC19H24N4O4S
Molecular Weight404.49 g/mol
Exact Mass404.15
IUPAC Name1-cyclohexyl-3-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]sulfonylurea
SMILESCc1cc(C)n(C(=O)c2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2)n1
InChIInChI=1S/C19H24N4O4S/c1-13-12-14(2)23(21-13)18(24)15-8-10-17(11-9-15)28(26,27)22-19(25)20-16-6-4-3-5-7-16/h8-12,16H,3-7H2,1-2H3,(H2,20,22,25)
InChIKeyBFPWNPALLPNDRJ-UHFFFAOYSA-N
XLogP2.51
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-cyclohexyl-3-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]sulfonylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1R)-1-[4-(acetylsulfamoyl)phenyl]ethyl]-1-methyl-3-phenylpyrazole-5-carboxamide
CID 138756828
4-(dimethylsulfamoyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 894979
1-cyclohexyl-N-[(2S)-3,3-dimethylbutan-2-yl]-3-methyl-5-[(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide
CID 57390867
3-methyl-N-(2-methylcyclohexyl)-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide
CID 57392963
N-[(2R)-3,3-dimethylbutan-2-yl]-3-methyl-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide
CID 57396468
N-butan-2-yl-3-methyl-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide
CID 57399910
3-methyl-5-[(4-methylphenyl)sulfonylamino]-N-pentan-3-yl-1-phenylpyrazole-4-carboxamide
CID 57401682
N-cyclohexyl-3-methyl-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide
CID 57401683
4-[(diethylamino)sulfonyl]-N-[1-(4,5-dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl]benzamide
CID 135731907
(3,5-dimethyl-1H-pyrazol-1-yl)(4-(pyrrolidin-1-ylsulfonyl)phenyl)methanone
CID 975014
4-({3-[(3,5-dimethyl-1H-pyrazol-1-yl)carbonyl]phenyl}sulfonyl)morpholine
CID 1526370
4-(3,5-dimethylpyrazol-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]benzamide
CID 2109137

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]sulfonylurea?
The IUPAC name of 1-cyclohexyl-3-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]sulfonylurea (CID 13224090) is 1-cyclohexyl-3-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]sulfonylurea.
What is the SMILES notation for 1-cyclohexyl-3-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]sulfonylurea?
The canonical SMILES for 1-cyclohexyl-3-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]sulfonylurea is Cc1cc(C)n(C(=O)c2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2)n1.
What is the InChIKey of 1-cyclohexyl-3-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]sulfonylurea?
The InChIKey is BFPWNPALLPNDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4S/c1-13-12-14(2)23(21-13)18(24)15-8-10-17(11-9-15)28(26,27)22-19(25)20-16-6-4-3-5-7-16/h8-12,16H,3-7H2,1-2H3,(H2,20,22,25).
What are the key properties of 1-cyclohexyl-3-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]sulfonylurea?
1-cyclohexyl-3-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]sulfonylurea has a molecular weight of 404.49 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]sulfonylurea is sourced from PubChem (CID 13224090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).