5-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide

C22H26N6O4S — CID 55561617

IUPAC5-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
SMILESCN1CCN(S(=O)(=O)c2ccc(NC(=O)C3=NN(c4ccccc4)C(C(N)=O)C3)cc2)CC1
InChIInChI=1S/C22H26N6O4S/c1-26-11-13-27(14-12-26)33(31,32)18-9-7-16(8-10-18)24-22(30)19-15-20(21(23)29)28(25-19)17-5-3-2-4-6-17/h2-10,20H,11-15H2,1H3,(H2,23,29)(H,24,30)
InChIKeyAKMGWWSDPOARRZ-UHFFFAOYSA-N
MW470.56 g/mol
LogP0.68
Rot. Bonds6

About 5-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide

5-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide (PubChem CID 55561617) has the molecular formula C22H26N6O4S and a molecular weight of 470.56 g/mol. Its IUPAC name is 5-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
PubChem CID55561617
Molecular FormulaC22H26N6O4S
Molecular Weight470.56 g/mol
Exact Mass470.17
IUPAC Name5-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
SMILESCN1CCN(S(=O)(=O)c2ccc(NC(=O)C3=NN(c4ccccc4)C(C(N)=O)C3)cc2)CC1
InChIInChI=1S/C22H26N6O4S/c1-26-11-13-27(14-12-26)33(31,32)18-9-7-16(8-10-18)24-22(30)19-15-20(21(23)29)28(25-19)17-5-3-2-4-6-17/h2-10,20H,11-15H2,1H3,(H2,23,29)(H,24,30)
InChIKeyAKMGWWSDPOARRZ-UHFFFAOYSA-N
XLogP0.68
TPSA128.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.56
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-N-(4-methylsulfonylphenyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 55561159
(3S)-5-N-[2-(methylcarbamoyl)phenyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 39999608
(3S)-5-N-(5-methyl-2-pyridinyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 36623710
N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 764494
(4-acetamidophenyl) (3R)-3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carboxylate
CID 51934163
5-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 55561620
N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide;hydrate
CID 139066606
N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 24573032
(3S)-5-(1-methyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl)-2-phenyl-3,4-dihydropyrazole-3-carboxamide
CID 96998888
2-(4-fluorophenyl)-5-N-(2-methyl-1,3-dioxoisoindol-5-yl)-3,4-dihydropyrazole-3,5-dicarboxamide
CID 55560989
5-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 134022863
N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]furan-3-carboxamide
CID 34142457

Frequently Asked Questions

What is the IUPAC name of 5-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide?
The IUPAC name of 5-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide (CID 55561617) is 5-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide.
What is the SMILES notation for 5-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide?
The canonical SMILES for 5-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide is CN1CCN(S(=O)(=O)c2ccc(NC(=O)C3=NN(c4ccccc4)C(C(N)=O)C3)cc2)CC1.
What is the InChIKey of 5-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide?
The InChIKey is AKMGWWSDPOARRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O4S/c1-26-11-13-27(14-12-26)33(31,32)18-9-7-16(8-10-18)24-22(30)19-15-20(21(23)29)28(25-19)17-5-3-2-4-6-17/h2-10,20H,11-15H2,1H3,(H2,23,29)(H,24,30).
What are the key properties of 5-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide?
5-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide has a molecular weight of 470.56 g/mol, XLogP of 0.68, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide is sourced from PubChem (CID 55561617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).