2-[3-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-(2-pyridin-2-ylethyl)benzamide

C23H19ClN4O — CID 134462934

IUPAC2-[3-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-(2-pyridin-2-ylethyl)benzamide
SMILESO=C(NCCc1ccccn1)c1ccccc1-c1cc(-c2cccc(Cl)c2)n[nH]1
InChIInChI=1S/C23H19ClN4O/c24-17-7-5-6-16(14-17)21-15-22(28-27-21)19-9-1-2-10-20(19)23(29)26-13-11-18-8-3-4-12-25-18/h1-10,12,14-15H,11,13H2,(H,26,29)(H,27,28)
InChIKeyGWRNEWTUKPZHRE-UHFFFAOYSA-N
MW402.89 g/mol
LogP4.76
Rot. Bonds6

About 2-[3-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-(2-pyridin-2-ylethyl)benzamide

2-[3-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-(2-pyridin-2-ylethyl)benzamide (PubChem CID 134462934) has the molecular formula C23H19ClN4O and a molecular weight of 402.89 g/mol. Its IUPAC name is 2-[3-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-(2-pyridin-2-ylethyl)benzamide.

Molecular Properties

Compound Name2-[3-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-(2-pyridin-2-ylethyl)benzamide
PubChem CID134462934
Molecular FormulaC23H19ClN4O
Molecular Weight402.89 g/mol
Exact Mass402.12
IUPAC Name2-[3-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-(2-pyridin-2-ylethyl)benzamide
SMILESO=C(NCCc1ccccn1)c1ccccc1-c1cc(-c2cccc(Cl)c2)n[nH]1
InChIInChI=1S/C23H19ClN4O/c24-17-7-5-6-16(14-17)21-15-22(28-27-21)19-9-1-2-10-20(19)23(29)26-13-11-18-8-3-4-12-25-18/h1-10,12,14-15H,11,13H2,(H,26,29)(H,27,28)
InChIKeyGWRNEWTUKPZHRE-UHFFFAOYSA-N
XLogP4.76
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.89
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(2-aminophenyl)-1H-pyrazol-5-yl]-N-(2-pyridin-2-ylethyl)benzamide
CID 135138660
4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]-N-(2-pyridin-2-ylethyl)benzamide
CID 44763355
5-chloro-2-hydrazinyl-N-(2-pyridin-2-ylethyl)benzamide
CID 62236376
N-[2-(2-methylphenyl)ethyl]-2-(3-phenyl-1H-pyrazol-5-yl)benzamide
CID 135132671
N-[2-(3-aminophenyl)ethyl]-2-(3-phenyl-1H-pyrazol-5-yl)benzamide
CID 135138265
2-(2-ethylphenyl)-N-(2-pyridin-2-ylethyl)benzamide
CID 142054987
5-chloro-2-(ethylamino)-N-(2-pyridin-2-ylethyl)benzamide
CID 62171740
5-(3-chlorophenyl)-1-ethyl-N-(2-pyridin-2-ylethyl)pyrazole-3-carboxamide
CID 46104817
2-(2-pyridin-2-ylethylcarbamoyl)benzoic acid
CID 43396615
2,5-dichloro-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
CID 114917187
2-[3-(4-hydroxyphenyl)-1H-pyrazol-5-yl]-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]benzamide
CID 137293900
3-(3-chlorophenyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 47141858

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-(2-pyridin-2-ylethyl)benzamide?
The IUPAC name of 2-[3-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-(2-pyridin-2-ylethyl)benzamide (CID 134462934) is 2-[3-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-(2-pyridin-2-ylethyl)benzamide.
What is the SMILES notation for 2-[3-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-(2-pyridin-2-ylethyl)benzamide?
The canonical SMILES for 2-[3-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-(2-pyridin-2-ylethyl)benzamide is O=C(NCCc1ccccn1)c1ccccc1-c1cc(-c2cccc(Cl)c2)n[nH]1.
What is the InChIKey of 2-[3-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-(2-pyridin-2-ylethyl)benzamide?
The InChIKey is GWRNEWTUKPZHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O/c24-17-7-5-6-16(14-17)21-15-22(28-27-21)19-9-1-2-10-20(19)23(29)26-13-11-18-8-3-4-12-25-18/h1-10,12,14-15H,11,13H2,(H,26,29)(H,27,28).
What are the key properties of 2-[3-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-(2-pyridin-2-ylethyl)benzamide?
2-[3-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-(2-pyridin-2-ylethyl)benzamide has a molecular weight of 402.89 g/mol, XLogP of 4.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-(2-pyridin-2-ylethyl)benzamide is sourced from PubChem (CID 134462934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).