5-methyl-1-(2-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazole-4-carboxamide

C23H27N5O3S — CID 55607152

IUPAC5-methyl-1-(2-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazole-4-carboxamide
SMILESCc1ccccc1-n1ncc(C(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)c1C
InChIInChI=1S/C23H27N5O3S/c1-17-6-4-5-7-22(17)28-18(2)21(16-24-28)23(29)25-19-8-10-20(11-9-19)32(30,31)27-14-12-26(3)13-15-27/h4-11,16H,12-15H2,1-3H3,(H,25,29)
InChIKeyPPPMOOAHAOLVRC-UHFFFAOYSA-N
MW453.57 g/mol
LogP2.68
Rot. Bonds5

About 5-methyl-1-(2-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazole-4-carboxamide

5-methyl-1-(2-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazole-4-carboxamide (PubChem CID 55607152) has the molecular formula C23H27N5O3S and a molecular weight of 453.57 g/mol. Its IUPAC name is 5-methyl-1-(2-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-1-(2-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazole-4-carboxamide
PubChem CID55607152
Molecular FormulaC23H27N5O3S
Molecular Weight453.57 g/mol
Exact Mass453.18
IUPAC Name5-methyl-1-(2-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazole-4-carboxamide
SMILESCc1ccccc1-n1ncc(C(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)c1C
InChIInChI=1S/C23H27N5O3S/c1-17-6-4-5-7-22(17)28-18(2)21(16-24-28)23(29)25-19-8-10-20(11-9-19)32(30,31)27-14-12-26(3)13-15-27/h4-11,16H,12-15H2,1-3H3,(H,25,29)
InChIKeyPPPMOOAHAOLVRC-UHFFFAOYSA-N
XLogP2.68
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.57
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 55521376
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CID 24573032
5-methyl-1-(2-methylphenyl)-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]pyrazole-4-carboxamide
CID 55605707
5-methyl-1-(2-methylphenyl)-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide
CID 55624760
N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 55606320
N-(4-bromo-3-methylphenyl)-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 55604592
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methylbenzamide
CID 1010223
N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 764494
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 55604738
N-(3,4-dimethylphenyl)sulfonyl-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 52671803
N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide;hydrate
CID 139066606
3-(4-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-methylsulfanylimidazole-4-carboxamide
CID 55395244

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(2-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazole-4-carboxamide?
The IUPAC name of 5-methyl-1-(2-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazole-4-carboxamide (CID 55607152) is 5-methyl-1-(2-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-1-(2-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-1-(2-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazole-4-carboxamide is Cc1ccccc1-n1ncc(C(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)c1C.
What is the InChIKey of 5-methyl-1-(2-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazole-4-carboxamide?
The InChIKey is PPPMOOAHAOLVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3S/c1-17-6-4-5-7-22(17)28-18(2)21(16-24-28)23(29)25-19-8-10-20(11-9-19)32(30,31)27-14-12-26(3)13-15-27/h4-11,16H,12-15H2,1-3H3,(H,25,29).
What are the key properties of 5-methyl-1-(2-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazole-4-carboxamide?
5-methyl-1-(2-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazole-4-carboxamide has a molecular weight of 453.57 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 55607152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).