1-[(2-chlorophenyl)methyl]-N-[3-(diethylsulfamoyl)-4-methylphenyl]-3,5-dimethylpyrazole-4-carboxamide

C24H29ClN4O3S — CID 26521113

IUPAC1-[(2-chlorophenyl)methyl]-N-[3-(diethylsulfamoyl)-4-methylphenyl]-3,5-dimethylpyrazole-4-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)c2c(C)nn(Cc3ccccc3Cl)c2C)ccc1C
InChIInChI=1S/C24H29ClN4O3S/c1-6-28(7-2)33(31,32)22-14-20(13-12-16(22)3)26-24(30)23-17(4)27-29(18(23)5)15-19-10-8-9-11-21(19)25/h8-14H,6-7,15H2,1-5H3,(H,26,30)
InChIKeyHQEBERQGCQSMTM-UHFFFAOYSA-N
MW489.04 g/mol
LogP4.79
Rot. Bonds8

About 1-[(2-chlorophenyl)methyl]-N-[3-(diethylsulfamoyl)-4-methylphenyl]-3,5-dimethylpyrazole-4-carboxamide

1-[(2-chlorophenyl)methyl]-N-[3-(diethylsulfamoyl)-4-methylphenyl]-3,5-dimethylpyrazole-4-carboxamide (PubChem CID 26521113) has the molecular formula C24H29ClN4O3S and a molecular weight of 489.04 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-N-[3-(diethylsulfamoyl)-4-methylphenyl]-3,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-N-[3-(diethylsulfamoyl)-4-methylphenyl]-3,5-dimethylpyrazole-4-carboxamide
PubChem CID26521113
Molecular FormulaC24H29ClN4O3S
Molecular Weight489.04 g/mol
Exact Mass488.16
IUPAC Name1-[(2-chlorophenyl)methyl]-N-[3-(diethylsulfamoyl)-4-methylphenyl]-3,5-dimethylpyrazole-4-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)c2c(C)nn(Cc3ccccc3Cl)c2C)ccc1C
InChIInChI=1S/C24H29ClN4O3S/c1-6-28(7-2)33(31,32)22-14-20(13-12-16(22)3)26-24(30)23-17(4)27-29(18(23)5)15-19-10-8-9-11-21(19)25/h8-14H,6-7,15H2,1-5H3,(H,26,30)
InChIKeyHQEBERQGCQSMTM-UHFFFAOYSA-N
XLogP4.79
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.04
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-chlorophenyl)methyl]-3,5-dimethyl-N-(3-nitrophenyl)pyrazole-4-carboxamide
CID 29200340
1-[(2-chlorophenyl)methyl]-3,5-dimethyl-N-(2-methylphenyl)pyrazole-4-carboxamide
CID 8713967
1-[(2-chlorophenyl)methyl]-N-(2-ethylphenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 8839325
3-(2,6-dichlorophenyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 46586101
1-[(2-chlorophenyl)methyl]-3,5-dimethyl-N-[3-(piperidin-1-ylmethyl)phenyl]pyrazole-4-carboxamide
CID 34450856
1-[(2-chlorophenyl)methyl]-N-(3-hydroxypropyl)-3,5-dimethylpyrazole-4-carboxamide
CID 78798305
N-(2-aminoethyl)-1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide;hydrochloride
CID 119382459
3-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazole-4-carbonyl]amino]propanoic acid
CID 119176931
1-[(2-chlorophenyl)methyl]-N-[4-(cyanomethoxy)phenyl]-3,5-dimethylpyrazole-4-carboxamide
CID 26312504
1-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-(3,4-dimethylphenyl)urea
CID 17374961
1-[(2-chlorophenyl)methyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3,5-dimethylpyrazole-4-carboxamide
CID 112792809
N-[3-(diethylsulfamoyl)-4-methylphenyl]-1-phenylpyrazole-3-carboxamide
CID 39898710

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-N-[3-(diethylsulfamoyl)-4-methylphenyl]-3,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-N-[3-(diethylsulfamoyl)-4-methylphenyl]-3,5-dimethylpyrazole-4-carboxamide (CID 26521113) is 1-[(2-chlorophenyl)methyl]-N-[3-(diethylsulfamoyl)-4-methylphenyl]-3,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-N-[3-(diethylsulfamoyl)-4-methylphenyl]-3,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-N-[3-(diethylsulfamoyl)-4-methylphenyl]-3,5-dimethylpyrazole-4-carboxamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)c2c(C)nn(Cc3ccccc3Cl)c2C)ccc1C.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-N-[3-(diethylsulfamoyl)-4-methylphenyl]-3,5-dimethylpyrazole-4-carboxamide?
The InChIKey is HQEBERQGCQSMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN4O3S/c1-6-28(7-2)33(31,32)22-14-20(13-12-16(22)3)26-24(30)23-17(4)27-29(18(23)5)15-19-10-8-9-11-21(19)25/h8-14H,6-7,15H2,1-5H3,(H,26,30).
What are the key properties of 1-[(2-chlorophenyl)methyl]-N-[3-(diethylsulfamoyl)-4-methylphenyl]-3,5-dimethylpyrazole-4-carboxamide?
1-[(2-chlorophenyl)methyl]-N-[3-(diethylsulfamoyl)-4-methylphenyl]-3,5-dimethylpyrazole-4-carboxamide has a molecular weight of 489.04 g/mol, XLogP of 4.79, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-N-[3-(diethylsulfamoyl)-4-methylphenyl]-3,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 26521113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).