5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]pyrazole-4-carboxamide

C21H22Cl2N4O3S — CID 34558813

IUPAC5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]pyrazole-4-carboxamide
SMILESCNS(=O)(=O)Cc1ccc(CNC(=O)c2c(C)nn(Cc3ccccc3Cl)c2Cl)cc1
InChIInChI=1S/C21H22Cl2N4O3S/c1-14-19(20(23)27(26-14)12-17-5-3-4-6-18(17)22)21(28)25-11-15-7-9-16(10-8-15)13-31(29,30)24-2/h3-10,24H,11-13H2,1-2H3,(H,25,28)
InChIKeyFSLBIVNEGKOCEM-UHFFFAOYSA-N
MW481.41 g/mol
LogP3.53
Rot. Bonds8

About 5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]pyrazole-4-carboxamide

5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]pyrazole-4-carboxamide (PubChem CID 34558813) has the molecular formula C21H22Cl2N4O3S and a molecular weight of 481.41 g/mol. Its IUPAC name is 5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]pyrazole-4-carboxamide
PubChem CID34558813
Molecular FormulaC21H22Cl2N4O3S
Molecular Weight481.41 g/mol
Exact Mass480.08
IUPAC Name5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]pyrazole-4-carboxamide
SMILESCNS(=O)(=O)Cc1ccc(CNC(=O)c2c(C)nn(Cc3ccccc3Cl)c2Cl)cc1
InChIInChI=1S/C21H22Cl2N4O3S/c1-14-19(20(23)27(26-14)12-17-5-3-4-6-18(17)22)21(28)25-11-15-7-9-16(10-8-15)13-31(29,30)24-2/h3-10,24H,11-13H2,1-2H3,(H,25,28)
InChIKeyFSLBIVNEGKOCEM-UHFFFAOYSA-N
XLogP3.53
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.41
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-1-[(2-chlorophenyl)methyl]-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-methylpyrazole-4-carboxamide
CID 55859126
1-[(2-chlorophenyl)methyl]-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 38123381
5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-N-[[4-(methylsulfamoyl)phenyl]methyl]pyrazole-4-carboxamide
CID 55587112
5-chloro-1-[(2-chlorophenyl)methyl]-N-[3-(4-hydroxyphenyl)propyl]-3-methylpyrazole-4-carboxamide
CID 86973065
5-chloro-3-methyl-N-[(2-methylphenyl)methyl]-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 26313221
1-butyl-5-chloro-N-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carboxamide
CID 9209718
5-chloro-N-[(4-chlorophenyl)methyl]-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 26911967
5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazole-4-carboxamide
CID 46400897
5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N'-phenylpyrazole-4-carbohydrazide
CID 78774668
5-chloro-1-[(2-chlorophenyl)methyl]-N-(3-ethoxypropyl)-3-methylpyrazole-4-carboxamide
CID 29353447
1-[(2-chlorophenyl)methyl]-3,5-dimethyl-N-[[3-(methylcarbamoyl)phenyl]methyl]pyrazole-4-carboxamide
CID 33203749
5-chloro-1-[(2-chlorophenyl)methyl]-N,N-diethyl-3-methylpyrazole-4-carboxamide
CID 78777250

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]pyrazole-4-carboxamide (CID 34558813) is 5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]pyrazole-4-carboxamide is CNS(=O)(=O)Cc1ccc(CNC(=O)c2c(C)nn(Cc3ccccc3Cl)c2Cl)cc1.
What is the InChIKey of 5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]pyrazole-4-carboxamide?
The InChIKey is FSLBIVNEGKOCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22Cl2N4O3S/c1-14-19(20(23)27(26-14)12-17-5-3-4-6-18(17)22)21(28)25-11-15-7-9-16(10-8-15)13-31(29,30)24-2/h3-10,24H,11-13H2,1-2H3,(H,25,28).
What are the key properties of 5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]pyrazole-4-carboxamide?
5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]pyrazole-4-carboxamide has a molecular weight of 481.41 g/mol, XLogP of 3.53, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 34558813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).