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

C24H21ClN4O — CID 46091764

IUPAC4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
SMILESCN(CCc1ccccn1)C(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1
InChIInChI=1S/C24H21ClN4O/c1-29(15-13-21-4-2-3-14-26-21)24(30)19-7-5-17(6-8-19)22-16-23(28-27-22)18-9-11-20(25)12-10-18/h2-12,14,16H,13,15H2,1H3,(H,27,28)
InChIKeyWAUGAKQFYLAQBF-UHFFFAOYSA-N
MW416.91 g/mol
LogP5.11
Rot. Bonds6

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

4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)benzamide (PubChem CID 46091764) has the molecular formula C24H21ClN4O and a molecular weight of 416.91 g/mol. Its IUPAC name is 4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)benzamide.

Molecular Properties

Compound Name4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
PubChem CID46091764
Molecular FormulaC24H21ClN4O
Molecular Weight416.91 g/mol
Exact Mass416.14
IUPAC Name4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
SMILESCN(CCc1ccccn1)C(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1
InChIInChI=1S/C24H21ClN4O/c1-29(15-13-21-4-2-3-14-26-21)24(30)19-7-5-17(6-8-19)22-16-23(28-27-22)18-9-11-20(25)12-10-18/h2-12,14,16H,13,15H2,1H3,(H,27,28)
InChIKeyWAUGAKQFYLAQBF-UHFFFAOYSA-N
XLogP5.11
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.91
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)benzamide?
The IUPAC name of 4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)benzamide (CID 46091764) is 4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)benzamide.
What is the SMILES notation for 4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)benzamide?
The canonical SMILES for 4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)benzamide is CN(CCc1ccccn1)C(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1.
What is the InChIKey of 4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)benzamide?
The InChIKey is WAUGAKQFYLAQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O/c1-29(15-13-21-4-2-3-14-26-21)24(30)19-7-5-17(6-8-19)22-16-23(28-27-22)18-9-11-20(25)12-10-18/h2-12,14,16H,13,15H2,1H3,(H,27,28).
What are the key properties of 4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)benzamide?
4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)benzamide has a molecular weight of 416.91 g/mol, XLogP of 5.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)benzamide is sourced from PubChem (CID 46091764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).