1-(2,3-diphenyl-3,4-dihydropyrazole-5-carbonyl)piperidine-2-carboxamide

C22H24N4O2 — CID 112814319

IUPAC1-(2,3-diphenyl-3,4-dihydropyrazole-5-carbonyl)piperidine-2-carboxamide
SMILESNC(=O)C1CCCCN1C(=O)C1=NN(c2ccccc2)C(c2ccccc2)C1
InChIInChI=1S/C22H24N4O2/c23-21(27)19-13-7-8-14-25(19)22(28)18-15-20(16-9-3-1-4-10-16)26(24-18)17-11-5-2-6-12-17/h1-6,9-12,19-20H,7-8,13-15H2,(H2,23,27)
InChIKeyBQBBZBBLXCACGF-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.86
Rot. Bonds4

About 1-(2,3-diphenyl-3,4-dihydropyrazole-5-carbonyl)piperidine-2-carboxamide

1-(2,3-diphenyl-3,4-dihydropyrazole-5-carbonyl)piperidine-2-carboxamide (PubChem CID 112814319) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-(2,3-diphenyl-3,4-dihydropyrazole-5-carbonyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(2,3-diphenyl-3,4-dihydropyrazole-5-carbonyl)piperidine-2-carboxamide
PubChem CID112814319
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name1-(2,3-diphenyl-3,4-dihydropyrazole-5-carbonyl)piperidine-2-carboxamide
SMILESNC(=O)C1CCCCN1C(=O)C1=NN(c2ccccc2)C(c2ccccc2)C1
InChIInChI=1S/C22H24N4O2/c23-21(27)19-13-7-8-14-25(19)22(28)18-15-20(16-9-3-1-4-10-16)26(24-18)17-11-5-2-6-12-17/h1-6,9-12,19-20H,7-8,13-15H2,(H2,23,27)
InChIKeyBQBBZBBLXCACGF-UHFFFAOYSA-N
XLogP2.86
TPSA79.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-2-phenyl-5-[(2R)-2-phenylpyrrolidine-1-carbonyl]-3,4-dihydropyrazole-3-carboxamide
CID 51934177
(2,3-diphenyl-3,4-dihydropyrazol-5-yl)-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone
CID 112814329
(3R)-2-phenyl-5-[(2S)-2-(1,3-thiazol-2-ylcarbamoyl)pyrrolidine-1-carbonyl]-3,4-dihydropyrazole-3-carboxamide
CID 51942518
cyclopentyl (3R)-2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate
CID 95761896
[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate
CID 55569344
sodium 2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate
CID 24844262
N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide
CID 56544190
(3R)-2-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazole-5-carboxylic acid
CID 95656986
(3S)-2-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazole-5-carboxylic acid
CID 95657115
(3R)-2-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazole-5-carboxylic acid
CID 95657116
(3R)-N-methoxy-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide
CID 38013267
(3S)-5-(morpholine-4-carbonyl)-2-phenyl-3,4-dihydropyrazole-3-carboxamide
CID 36619986

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-diphenyl-3,4-dihydropyrazole-5-carbonyl)piperidine-2-carboxamide?
The IUPAC name of 1-(2,3-diphenyl-3,4-dihydropyrazole-5-carbonyl)piperidine-2-carboxamide (CID 112814319) is 1-(2,3-diphenyl-3,4-dihydropyrazole-5-carbonyl)piperidine-2-carboxamide.
What is the SMILES notation for 1-(2,3-diphenyl-3,4-dihydropyrazole-5-carbonyl)piperidine-2-carboxamide?
The canonical SMILES for 1-(2,3-diphenyl-3,4-dihydropyrazole-5-carbonyl)piperidine-2-carboxamide is NC(=O)C1CCCCN1C(=O)C1=NN(c2ccccc2)C(c2ccccc2)C1.
What is the InChIKey of 1-(2,3-diphenyl-3,4-dihydropyrazole-5-carbonyl)piperidine-2-carboxamide?
The InChIKey is BQBBZBBLXCACGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c23-21(27)19-13-7-8-14-25(19)22(28)18-15-20(16-9-3-1-4-10-16)26(24-18)17-11-5-2-6-12-17/h1-6,9-12,19-20H,7-8,13-15H2,(H2,23,27).
What are the key properties of 1-(2,3-diphenyl-3,4-dihydropyrazole-5-carbonyl)piperidine-2-carboxamide?
1-(2,3-diphenyl-3,4-dihydropyrazole-5-carbonyl)piperidine-2-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-diphenyl-3,4-dihydropyrazole-5-carbonyl)piperidine-2-carboxamide is sourced from PubChem (CID 112814319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).