4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]-N-(2-pyridin-2-ylethyl)benzamide

C23H20ClN5O — CID 44763355

IUPAC4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]-N-(2-pyridin-2-ylethyl)benzamide
SMILESNc1cc(-c2cccc(Cl)c2)nn1-c1ccc(C(=O)NCCc2ccccn2)cc1
InChIInChI=1S/C23H20ClN5O/c24-18-5-3-4-17(14-18)21-15-22(25)29(28-21)20-9-7-16(8-10-20)23(30)27-13-11-19-6-1-2-12-26-19/h1-10,12,14-15H,11,13,25H2,(H,27,30)
InChIKeyHWLVTDJQFDTMCL-UHFFFAOYSA-N
MW417.90 g/mol
LogP4.14
Rot. Bonds6

About 4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]-N-(2-pyridin-2-ylethyl)benzamide

4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]-N-(2-pyridin-2-ylethyl)benzamide (PubChem CID 44763355) has the molecular formula C23H20ClN5O and a molecular weight of 417.90 g/mol. Its IUPAC name is 4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]-N-(2-pyridin-2-ylethyl)benzamide.

Molecular Properties

Compound Name4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]-N-(2-pyridin-2-ylethyl)benzamide
PubChem CID44763355
Molecular FormulaC23H20ClN5O
Molecular Weight417.90 g/mol
Exact Mass417.14
IUPAC Name4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]-N-(2-pyridin-2-ylethyl)benzamide
SMILESNc1cc(-c2cccc(Cl)c2)nn1-c1ccc(C(=O)NCCc2ccccn2)cc1
InChIInChI=1S/C23H20ClN5O/c24-18-5-3-4-17(14-18)21-15-22(25)29(28-21)20-9-7-16(8-10-20)23(30)27-13-11-19-6-1-2-12-26-19/h1-10,12,14-15H,11,13,25H2,(H,27,30)
InChIKeyHWLVTDJQFDTMCL-UHFFFAOYSA-N
XLogP4.14
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.90
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]-N-pentylbenzamide
CID 44763412
4-[5-amino-3-(4-chlorophenyl)pyrazol-1-yl]-N-(2-phenoxyethyl)benzamide
CID 44763130
4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]-N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]benzamide
CID 44763350
2-[3-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-(2-pyridin-2-ylethyl)benzamide
CID 134462934
5-(3-chlorophenyl)-1-ethyl-N-(2-pyridin-2-ylethyl)pyrazole-3-carboxamide
CID 46104817
4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 44763354
3-amino-N-(2-pyridin-2-ylethyl)benzamide
CID 24704285
4-[5-amino-3-(3-methylphenyl)pyrazol-1-yl]-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 44763704
1-(4-methoxyphenyl)-3-phenyl-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide
CID 42754625
1-(3-chlorophenyl)-3-(furan-2-yl)-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide
CID 1053520
4-[5-amino-3-(3,4-dichlorophenyl)pyrazol-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 44763554
1-(3-chlorophenyl)-3-(3,4-dimethylphenyl)-N-(pyridin-2-ylmethyl)pyrazole-5-carboxamide
CID 3389223

Frequently Asked Questions

What is the IUPAC name of 4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]-N-(2-pyridin-2-ylethyl)benzamide?
The IUPAC name of 4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]-N-(2-pyridin-2-ylethyl)benzamide (CID 44763355) is 4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]-N-(2-pyridin-2-ylethyl)benzamide.
What is the SMILES notation for 4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]-N-(2-pyridin-2-ylethyl)benzamide?
The canonical SMILES for 4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]-N-(2-pyridin-2-ylethyl)benzamide is Nc1cc(-c2cccc(Cl)c2)nn1-c1ccc(C(=O)NCCc2ccccn2)cc1.
What is the InChIKey of 4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]-N-(2-pyridin-2-ylethyl)benzamide?
The InChIKey is HWLVTDJQFDTMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN5O/c24-18-5-3-4-17(14-18)21-15-22(25)29(28-21)20-9-7-16(8-10-20)23(30)27-13-11-19-6-1-2-12-26-19/h1-10,12,14-15H,11,13,25H2,(H,27,30).
What are the key properties of 4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]-N-(2-pyridin-2-ylethyl)benzamide?
4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]-N-(2-pyridin-2-ylethyl)benzamide has a molecular weight of 417.90 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]-N-(2-pyridin-2-ylethyl)benzamide is sourced from PubChem (CID 44763355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).