2-phenyl-5-[4-(2-pyridin-2-ylacetyl)piperazine-1-carbonyl]-3,4-dihydropyrazole-3-carboxamide

C22H24N6O3 — CID 56521146

IUPAC2-phenyl-5-[4-(2-pyridin-2-ylacetyl)piperazine-1-carbonyl]-3,4-dihydropyrazole-3-carboxamide
SMILESNC(=O)C1CC(C(=O)N2CCN(C(=O)Cc3ccccn3)CC2)=NN1c1ccccc1
InChIInChI=1S/C22H24N6O3/c23-21(30)19-15-18(25-28(19)17-7-2-1-3-8-17)22(31)27-12-10-26(11-13-27)20(29)14-16-6-4-5-9-24-16/h1-9,19H,10-15H2,(H2,23,30)
InChIKeyGHQZYILQJVXAJL-UHFFFAOYSA-N
MW420.47 g/mol
LogP0.42
Rot. Bonds5

About 2-phenyl-5-[4-(2-pyridin-2-ylacetyl)piperazine-1-carbonyl]-3,4-dihydropyrazole-3-carboxamide

2-phenyl-5-[4-(2-pyridin-2-ylacetyl)piperazine-1-carbonyl]-3,4-dihydropyrazole-3-carboxamide (PubChem CID 56521146) has the molecular formula C22H24N6O3 and a molecular weight of 420.47 g/mol. Its IUPAC name is 2-phenyl-5-[4-(2-pyridin-2-ylacetyl)piperazine-1-carbonyl]-3,4-dihydropyrazole-3-carboxamide.

Molecular Properties

Compound Name2-phenyl-5-[4-(2-pyridin-2-ylacetyl)piperazine-1-carbonyl]-3,4-dihydropyrazole-3-carboxamide
PubChem CID56521146
Molecular FormulaC22H24N6O3
Molecular Weight420.47 g/mol
Exact Mass420.19
IUPAC Name2-phenyl-5-[4-(2-pyridin-2-ylacetyl)piperazine-1-carbonyl]-3,4-dihydropyrazole-3-carboxamide
SMILESNC(=O)C1CC(C(=O)N2CCN(C(=O)Cc3ccccn3)CC2)=NN1c1ccccc1
InChIInChI=1S/C22H24N6O3/c23-21(30)19-15-18(25-28(19)17-7-2-1-3-8-17)22(31)27-12-10-26(11-13-27)20(29)14-16-6-4-5-9-24-16/h1-9,19H,10-15H2,(H2,23,30)
InChIKeyGHQZYILQJVXAJL-UHFFFAOYSA-N
XLogP0.42
TPSA112.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-5-(morpholine-4-carbonyl)-2-phenyl-3,4-dihydropyrazole-3-carboxamide
CID 36619986
(3S)-5-(1-methyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl)-2-phenyl-3,4-dihydropyrazole-3-carboxamide
CID 96998888
2-phenyl-5-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazine-1-carbonyl]-3,4-dihydropyrazole-3-carboxamide
CID 56551463
1-(2-pyridin-2-ylacetyl)piperidine-4-carboxamide
CID 110696934
5-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]-2-phenyl-3,4-dihydropyrazole-3-carboxamide
CID 112836577
5-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-(4-fluorophenyl)-3,4-dihydropyrazole-3-carboxamide
CID 42889427
(3S)-2-(4-fluorophenyl)-5-N-(2-pyridin-2-ylethyl)-3,4-dihydropyrazole-3,5-dicarboxamide
CID 39898089
2-pyridin-2-yl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 110696951
prop-2-enyl (3S)-3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carboxylate
CID 94026024
1-(3,4-dihydroxypyrrolidin-1-yl)-2-pyridin-2-ylethanone
CID 106671158
(3R)-2-phenyl-5-N-[(1S)-1-pyridin-2-ylethyl]-3,4-dihydropyrazole-3,5-dicarboxamide
CID 36629565
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-2-ylethanone
CID 110696933

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-[4-(2-pyridin-2-ylacetyl)piperazine-1-carbonyl]-3,4-dihydropyrazole-3-carboxamide?
The IUPAC name of 2-phenyl-5-[4-(2-pyridin-2-ylacetyl)piperazine-1-carbonyl]-3,4-dihydropyrazole-3-carboxamide (CID 56521146) is 2-phenyl-5-[4-(2-pyridin-2-ylacetyl)piperazine-1-carbonyl]-3,4-dihydropyrazole-3-carboxamide.
What is the SMILES notation for 2-phenyl-5-[4-(2-pyridin-2-ylacetyl)piperazine-1-carbonyl]-3,4-dihydropyrazole-3-carboxamide?
The canonical SMILES for 2-phenyl-5-[4-(2-pyridin-2-ylacetyl)piperazine-1-carbonyl]-3,4-dihydropyrazole-3-carboxamide is NC(=O)C1CC(C(=O)N2CCN(C(=O)Cc3ccccn3)CC2)=NN1c1ccccc1.
What is the InChIKey of 2-phenyl-5-[4-(2-pyridin-2-ylacetyl)piperazine-1-carbonyl]-3,4-dihydropyrazole-3-carboxamide?
The InChIKey is GHQZYILQJVXAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O3/c23-21(30)19-15-18(25-28(19)17-7-2-1-3-8-17)22(31)27-12-10-26(11-13-27)20(29)14-16-6-4-5-9-24-16/h1-9,19H,10-15H2,(H2,23,30).
What are the key properties of 2-phenyl-5-[4-(2-pyridin-2-ylacetyl)piperazine-1-carbonyl]-3,4-dihydropyrazole-3-carboxamide?
2-phenyl-5-[4-(2-pyridin-2-ylacetyl)piperazine-1-carbonyl]-3,4-dihydropyrazole-3-carboxamide has a molecular weight of 420.47 g/mol, XLogP of 0.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-[4-(2-pyridin-2-ylacetyl)piperazine-1-carbonyl]-3,4-dihydropyrazole-3-carboxamide is sourced from PubChem (CID 56521146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).