N-[(2-chloro-6-methylphenyl)methyl]-4-(3-phenyl-1H-pyrazol-5-yl)benzamide

C24H20ClN3O — CID 46091915

IUPACN-[(2-chloro-6-methylphenyl)methyl]-4-(3-phenyl-1H-pyrazol-5-yl)benzamide
SMILESCc1cccc(Cl)c1CNC(=O)c1ccc(-c2cc(-c3ccccc3)n[nH]2)cc1
InChIInChI=1S/C24H20ClN3O/c1-16-6-5-9-21(25)20(16)15-26-24(29)19-12-10-18(11-13-19)23-14-22(27-28-23)17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H,26,29)(H,27,28)
InChIKeyPBWFQVTUTLYGGR-UHFFFAOYSA-N
MW401.90 g/mol
LogP5.64
Rot. Bonds5

About N-[(2-chloro-6-methylphenyl)methyl]-4-(3-phenyl-1H-pyrazol-5-yl)benzamide

N-[(2-chloro-6-methylphenyl)methyl]-4-(3-phenyl-1H-pyrazol-5-yl)benzamide (PubChem CID 46091915) has the molecular formula C24H20ClN3O and a molecular weight of 401.90 g/mol. Its IUPAC name is N-[(2-chloro-6-methylphenyl)methyl]-4-(3-phenyl-1H-pyrazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[(2-chloro-6-methylphenyl)methyl]-4-(3-phenyl-1H-pyrazol-5-yl)benzamide
PubChem CID46091915
Molecular FormulaC24H20ClN3O
Molecular Weight401.90 g/mol
Exact Mass401.13
IUPAC NameN-[(2-chloro-6-methylphenyl)methyl]-4-(3-phenyl-1H-pyrazol-5-yl)benzamide
SMILESCc1cccc(Cl)c1CNC(=O)c1ccc(-c2cc(-c3ccccc3)n[nH]2)cc1
InChIInChI=1S/C24H20ClN3O/c1-16-6-5-9-21(25)20(16)15-26-24(29)19-12-10-18(11-13-19)23-14-22(27-28-23)17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H,26,29)(H,27,28)
InChIKeyPBWFQVTUTLYGGR-UHFFFAOYSA-N
XLogP5.64
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.90
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-(pyridin-2-ylmethyl)benzamide
CID 46109251
N-[(4-chlorophenyl)methyl]-4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)benzamide
CID 46091788
N-[(3-chlorophenyl)methyl]-4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)benzamide
CID 46091822
4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-[(2-ethoxyphenyl)methyl]benzamide
CID 46091776
4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-(pyridin-4-ylmethyl)benzamide
CID 46109252
1-[4-(3-phenyl-1H-pyrazol-5-yl)phenyl]ethanone
CID 155037922
N-[(2-methylphenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 8889561
5-(4-methylphenyl)-3-phenyl-1H-pyrazole
CID 11506914
4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-(3-phenylpropyl)benzamide
CID 46091667
4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-(thiophen-3-ylmethyl)benzamide
CID 42691501
N-[(2-chloro-6-fluorophenyl)methyl]-6-phenylpyridazine-4-carboxamide
CID 139003098
4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-[(2-ethoxyphenyl)methyl]benzamide
CID 46091871

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-methylphenyl)methyl]-4-(3-phenyl-1H-pyrazol-5-yl)benzamide?
The IUPAC name of N-[(2-chloro-6-methylphenyl)methyl]-4-(3-phenyl-1H-pyrazol-5-yl)benzamide (CID 46091915) is N-[(2-chloro-6-methylphenyl)methyl]-4-(3-phenyl-1H-pyrazol-5-yl)benzamide.
What is the SMILES notation for N-[(2-chloro-6-methylphenyl)methyl]-4-(3-phenyl-1H-pyrazol-5-yl)benzamide?
The canonical SMILES for N-[(2-chloro-6-methylphenyl)methyl]-4-(3-phenyl-1H-pyrazol-5-yl)benzamide is Cc1cccc(Cl)c1CNC(=O)c1ccc(-c2cc(-c3ccccc3)n[nH]2)cc1.
What is the InChIKey of N-[(2-chloro-6-methylphenyl)methyl]-4-(3-phenyl-1H-pyrazol-5-yl)benzamide?
The InChIKey is PBWFQVTUTLYGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O/c1-16-6-5-9-21(25)20(16)15-26-24(29)19-12-10-18(11-13-19)23-14-22(27-28-23)17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H,26,29)(H,27,28).
What are the key properties of N-[(2-chloro-6-methylphenyl)methyl]-4-(3-phenyl-1H-pyrazol-5-yl)benzamide?
N-[(2-chloro-6-methylphenyl)methyl]-4-(3-phenyl-1H-pyrazol-5-yl)benzamide has a molecular weight of 401.90 g/mol, XLogP of 5.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-methylphenyl)methyl]-4-(3-phenyl-1H-pyrazol-5-yl)benzamide is sourced from PubChem (CID 46091915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).