1-(4-methylphenyl)-5-propan-2-yl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyrazole-4-carboxamide

C25H32N4O3S — CID 55607922

IUPAC1-(4-methylphenyl)-5-propan-2-yl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyrazole-4-carboxamide
SMILESCc1ccc(-n2ncc(C(=O)NCc3ccc(CS(=O)(=O)NC(C)C)cc3)c2C(C)C)cc1
InChIInChI=1S/C25H32N4O3S/c1-17(2)24-23(15-27-29(24)22-12-6-19(5)7-13-22)25(30)26-14-20-8-10-21(11-9-20)16-33(31,32)28-18(3)4/h6-13,15,17-18,28H,14,16H2,1-5H3,(H,26,30)
InChIKeyIYQIIFULZWRHID-UHFFFAOYSA-N
MW468.62 g/mol
LogP4.06
Rot. Bonds9

About 1-(4-methylphenyl)-5-propan-2-yl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyrazole-4-carboxamide

1-(4-methylphenyl)-5-propan-2-yl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyrazole-4-carboxamide (PubChem CID 55607922) has the molecular formula C25H32N4O3S and a molecular weight of 468.62 g/mol. Its IUPAC name is 1-(4-methylphenyl)-5-propan-2-yl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-methylphenyl)-5-propan-2-yl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyrazole-4-carboxamide
PubChem CID55607922
Molecular FormulaC25H32N4O3S
Molecular Weight468.62 g/mol
Exact Mass468.22
IUPAC Name1-(4-methylphenyl)-5-propan-2-yl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyrazole-4-carboxamide
SMILESCc1ccc(-n2ncc(C(=O)NCc3ccc(CS(=O)(=O)NC(C)C)cc3)c2C(C)C)cc1
InChIInChI=1S/C25H32N4O3S/c1-17(2)24-23(15-27-29(24)22-12-6-19(5)7-13-22)25(30)26-14-20-8-10-21(11-9-20)16-33(31,32)28-18(3)4/h6-13,15,17-18,28H,14,16H2,1-5H3,(H,26,30)
InChIKeyIYQIIFULZWRHID-UHFFFAOYSA-N
XLogP4.06
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.62
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-chlorophenyl)-5-propan-2-yl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 39695596
1-(4-methylphenyl)-5-propan-2-yl-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 55797748
methyl 2-methoxy-5-[[[1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carbonyl]amino]methyl]benzoate
CID 55605737
N-[(4-hydroxy-3-methoxyphenyl)methyl]-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 55638310
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 47865061
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 55608162
N-(2-amino-2-ethylbutyl)-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride
CID 119639876
1-(4-chlorophenyl)-N-[[4-(dimethylamino)phenyl]methyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 46578034
1-(4-fluorophenyl)-5-propan-2-yl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyrazole-4-carboxamide
CID 46456579
1-(4-methylphenyl)-5-propan-2-yl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 55609248
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 60516632
5-ethyl-1-(4-methylphenyl)-N-[[4-(2-methylpropanoylamino)phenyl]methyl]pyrazole-4-carboxamide
CID 55576435

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-5-propan-2-yl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(4-methylphenyl)-5-propan-2-yl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyrazole-4-carboxamide (CID 55607922) is 1-(4-methylphenyl)-5-propan-2-yl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-methylphenyl)-5-propan-2-yl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-methylphenyl)-5-propan-2-yl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyrazole-4-carboxamide is Cc1ccc(-n2ncc(C(=O)NCc3ccc(CS(=O)(=O)NC(C)C)cc3)c2C(C)C)cc1.
What is the InChIKey of 1-(4-methylphenyl)-5-propan-2-yl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyrazole-4-carboxamide?
The InChIKey is IYQIIFULZWRHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3S/c1-17(2)24-23(15-27-29(24)22-12-6-19(5)7-13-22)25(30)26-14-20-8-10-21(11-9-20)16-33(31,32)28-18(3)4/h6-13,15,17-18,28H,14,16H2,1-5H3,(H,26,30).
What are the key properties of 1-(4-methylphenyl)-5-propan-2-yl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyrazole-4-carboxamide?
1-(4-methylphenyl)-5-propan-2-yl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyrazole-4-carboxamide has a molecular weight of 468.62 g/mol, XLogP of 4.06, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-5-propan-2-yl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 55607922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).