5-N-(4-methylsulfonylphenyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide

C18H18N4O4S — CID 55561159

IUPAC5-N-(4-methylsulfonylphenyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
SMILESCS(=O)(=O)c1ccc(NC(=O)C2=NN(c3ccccc3)C(C(N)=O)C2)cc1
InChIInChI=1S/C18H18N4O4S/c1-27(25,26)14-9-7-12(8-10-14)20-18(24)15-11-16(17(19)23)22(21-15)13-5-3-2-4-6-13/h2-10,16H,11H2,1H3,(H2,19,23)(H,20,24)
InChIKeyFETBYIRGAPPJRC-UHFFFAOYSA-N
MW386.43 g/mol
LogP1.15
Rot. Bonds5

About 5-N-(4-methylsulfonylphenyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide

5-N-(4-methylsulfonylphenyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide (PubChem CID 55561159) has the molecular formula C18H18N4O4S and a molecular weight of 386.43 g/mol. Its IUPAC name is 5-N-(4-methylsulfonylphenyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(4-methylsulfonylphenyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
PubChem CID55561159
Molecular FormulaC18H18N4O4S
Molecular Weight386.43 g/mol
Exact Mass386.10
IUPAC Name5-N-(4-methylsulfonylphenyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
SMILESCS(=O)(=O)c1ccc(NC(=O)C2=NN(c3ccccc3)C(C(N)=O)C2)cc1
InChIInChI=1S/C18H18N4O4S/c1-27(25,26)14-9-7-12(8-10-14)20-18(24)15-11-16(17(19)23)22(21-15)13-5-3-2-4-6-13/h2-10,16H,11H2,1H3,(H2,19,23)(H,20,24)
InChIKeyFETBYIRGAPPJRC-UHFFFAOYSA-N
XLogP1.15
TPSA121.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 55561617
(3S)-5-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 39999402
(3R)-2-phenyl-5-N-[(1R)-1-[4-(phenylcarbamoylamino)phenyl]ethyl]-3,4-dihydropyrazole-3,5-dicarboxamide
CID 51950985
(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
(4-acetamidophenyl) (3R)-3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carboxylate
CID 51934163
methyl (3S)-3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carboxylate
CID 95597362
5-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 55561620
(3R)-2-phenyl-5-N-(1H-pyrazol-5-yl)-3,4-dihydropyrazole-3,5-dicarboxamide
CID 95583461
5-N-(5-chloro-2-pyridinyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 55571841
5-N-benzhydryl-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 46577919
5-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 134022863

Frequently Asked Questions

What is the IUPAC name of 5-N-(4-methylsulfonylphenyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide?
The IUPAC name of 5-N-(4-methylsulfonylphenyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide (CID 55561159) is 5-N-(4-methylsulfonylphenyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide.
What is the SMILES notation for 5-N-(4-methylsulfonylphenyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide?
The canonical SMILES for 5-N-(4-methylsulfonylphenyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide is CS(=O)(=O)c1ccc(NC(=O)C2=NN(c3ccccc3)C(C(N)=O)C2)cc1.
What is the InChIKey of 5-N-(4-methylsulfonylphenyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide?
The InChIKey is FETBYIRGAPPJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4S/c1-27(25,26)14-9-7-12(8-10-14)20-18(24)15-11-16(17(19)23)22(21-15)13-5-3-2-4-6-13/h2-10,16H,11H2,1H3,(H2,19,23)(H,20,24).
What are the key properties of 5-N-(4-methylsulfonylphenyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide?
5-N-(4-methylsulfonylphenyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide has a molecular weight of 386.43 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(4-methylsulfonylphenyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide is sourced from PubChem (CID 55561159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).