5-N-benzhydryl-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide

C24H22N4O2 — CID 46577919

IUPAC5-N-benzhydryl-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
SMILESNC(=O)C1CC(C(=O)NC(c2ccccc2)c2ccccc2)=NN1c1ccccc1
InChIInChI=1S/C24H22N4O2/c25-23(29)21-16-20(27-28(21)19-14-8-3-9-15-19)24(30)26-22(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-15,21-22H,16H2,(H2,25,29)(H,26,30)
InChIKeyLKHMHHBVZRSSBW-UHFFFAOYSA-N
MW398.47 g/mol
LogP3.01
Rot. Bonds6

About 5-N-benzhydryl-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide

5-N-benzhydryl-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide (PubChem CID 46577919) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 5-N-benzhydryl-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-benzhydryl-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
PubChem CID46577919
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC Name5-N-benzhydryl-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
SMILESNC(=O)C1CC(C(=O)NC(c2ccccc2)c2ccccc2)=NN1c1ccccc1
InChIInChI=1S/C24H22N4O2/c25-23(29)21-16-20(27-28(21)19-14-8-3-9-15-19)24(30)26-22(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-15,21-22H,16H2,(H2,25,29)(H,26,30)
InChIKeyLKHMHHBVZRSSBW-UHFFFAOYSA-N
XLogP3.01
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-2-phenyl-5-N-[(1S)-1-pyridin-2-ylethyl]-3,4-dihydropyrazole-3,5-dicarboxamide
CID 36629565
(3R)-2-phenyl-5-N-[(1R)-1-[4-(phenylcarbamoylamino)phenyl]ethyl]-3,4-dihydropyrazole-3,5-dicarboxamide
CID 51950985
methyl (3S)-3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carboxylate
CID 95597362
(3R)-2-phenyl-5-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]-3,4-dihydropyrazole-3,5-dicarboxamide
CID 38616647
(3R)-2-phenyl-5-N-(1H-pyrazol-5-yl)-3,4-dihydropyrazole-3,5-dicarboxamide
CID 95583461
(3S)-5-N-(2-phenoxyethyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 32935230
5-N-(5-chloro-2-pyridinyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 55571841
(3S)-5-N-(5-methyl-2-pyridinyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 36623710
(3S)-5-N-[2-(methylcarbamoyl)phenyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 39999608
(3R)-5-N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 52503104
(3S)-5-N-[3-[[(2R)-butan-2-yl]amino]-3-oxopropyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 52509242
5-N-(4-methylsulfonylphenyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 55561159

Frequently Asked Questions

What is the IUPAC name of 5-N-benzhydryl-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide?
The IUPAC name of 5-N-benzhydryl-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide (CID 46577919) is 5-N-benzhydryl-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide.
What is the SMILES notation for 5-N-benzhydryl-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide?
The canonical SMILES for 5-N-benzhydryl-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide is NC(=O)C1CC(C(=O)NC(c2ccccc2)c2ccccc2)=NN1c1ccccc1.
What is the InChIKey of 5-N-benzhydryl-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide?
The InChIKey is LKHMHHBVZRSSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c25-23(29)21-16-20(27-28(21)19-14-8-3-9-15-19)24(30)26-22(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-15,21-22H,16H2,(H2,25,29)(H,26,30).
What are the key properties of 5-N-benzhydryl-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide?
5-N-benzhydryl-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide has a molecular weight of 398.47 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-benzhydryl-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide is sourced from PubChem (CID 46577919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).