1-(4-chlorophenyl)-N-(3-methylsulfonylphenyl)-5-propylpyrazole-4-carboxamide

C20H20ClN3O3S — CID 91236728

IUPAC1-(4-chlorophenyl)-N-(3-methylsulfonylphenyl)-5-propylpyrazole-4-carboxamide
SMILESCCCc1c(C(=O)Nc2cccc(S(C)(=O)=O)c2)cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C20H20ClN3O3S/c1-3-5-19-18(13-22-24(19)16-10-8-14(21)9-11-16)20(25)23-15-6-4-7-17(12-15)28(2,26)27/h4,6-13H,3,5H2,1-2H3,(H,23,25)
InChIKeyLFSLCWAIBPTIAE-UHFFFAOYSA-N
MW417.92 g/mol
LogP4.13
Rot. Bonds6

About 1-(4-chlorophenyl)-N-(3-methylsulfonylphenyl)-5-propylpyrazole-4-carboxamide

1-(4-chlorophenyl)-N-(3-methylsulfonylphenyl)-5-propylpyrazole-4-carboxamide (PubChem CID 91236728) has the molecular formula C20H20ClN3O3S and a molecular weight of 417.92 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(3-methylsulfonylphenyl)-5-propylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(3-methylsulfonylphenyl)-5-propylpyrazole-4-carboxamide
PubChem CID91236728
Molecular FormulaC20H20ClN3O3S
Molecular Weight417.92 g/mol
Exact Mass417.09
IUPAC Name1-(4-chlorophenyl)-N-(3-methylsulfonylphenyl)-5-propylpyrazole-4-carboxamide
SMILESCCCc1c(C(=O)Nc2cccc(S(C)(=O)=O)c2)cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C20H20ClN3O3S/c1-3-5-19-18(13-22-24(19)16-10-8-14(21)9-11-16)20(25)23-15-6-4-7-17(12-15)28(2,26)27/h4,6-13H,3,5H2,1-2H3,(H,23,25)
InChIKeyLFSLCWAIBPTIAE-UHFFFAOYSA-N
XLogP4.13
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.92
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)-N-(4-morpholin-4-ylphenyl)-5-propylpyrazole-4-carboxamide
CID 90868671
1-methyl-N-(3-methylsulfonylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 33159734
1-(4-chlorophenyl)-N-(2,3-dihydro-1H-inden-2-yl)-5-propylpyrazole-4-carboxamide
CID 90716009
1-(4-chlorophenyl)-N-[3-[2-(dimethylamino)ethylsulfamoyl]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 90935405
1-(4-chlorophenyl)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 39298461
5-ethyl-1-(4-fluorophenyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]pyrazole-4-carboxamide
CID 31892941
N-(3-bromophenyl)-1-(4-chlorophenyl)-5-methylpyrazole-4-carboxamide
CID 24629396
N-(3-acetylphenyl)-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide
CID 31884775
1-(4-chlorophenyl)-N-[2-(3,5-dimethoxyphenyl)ethyl]-5-propylpyrazole-4-carboxamide
CID 90739672
N-[3-(carbamoylamino)phenyl]-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 31814455
N-(1H-indazol-6-yl)-1-phenyl-5-propylpyrazole-4-carboxamide
CID 59735133
1-(4-chlorophenyl)-N-[3-(cyclopropylsulfamoyl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 58866198

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(3-methylsulfonylphenyl)-5-propylpyrazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(3-methylsulfonylphenyl)-5-propylpyrazole-4-carboxamide (CID 91236728) is 1-(4-chlorophenyl)-N-(3-methylsulfonylphenyl)-5-propylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(3-methylsulfonylphenyl)-5-propylpyrazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(3-methylsulfonylphenyl)-5-propylpyrazole-4-carboxamide is CCCc1c(C(=O)Nc2cccc(S(C)(=O)=O)c2)cnn1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(3-methylsulfonylphenyl)-5-propylpyrazole-4-carboxamide?
The InChIKey is LFSLCWAIBPTIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O3S/c1-3-5-19-18(13-22-24(19)16-10-8-14(21)9-11-16)20(25)23-15-6-4-7-17(12-15)28(2,26)27/h4,6-13H,3,5H2,1-2H3,(H,23,25).
What are the key properties of 1-(4-chlorophenyl)-N-(3-methylsulfonylphenyl)-5-propylpyrazole-4-carboxamide?
1-(4-chlorophenyl)-N-(3-methylsulfonylphenyl)-5-propylpyrazole-4-carboxamide has a molecular weight of 417.92 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(3-methylsulfonylphenyl)-5-propylpyrazole-4-carboxamide is sourced from PubChem (CID 91236728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).