2-(4-chlorobenzoyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide

C25H20ClN3O2 — CID 19401842

IUPAC2-(4-chlorobenzoyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide
SMILESCc1ccc(Cn2cc(NC(=O)c3ccccc3C(=O)c3ccc(Cl)cc3)cn2)cc1
InChIInChI=1S/C25H20ClN3O2/c1-17-6-8-18(9-7-17)15-29-16-21(14-27-29)28-25(31)23-5-3-2-4-22(23)24(30)19-10-12-20(26)13-11-19/h2-14,16H,15H2,1H3,(H,28,31)
InChIKeySVVVDWLFTZHYPK-UHFFFAOYSA-N
MW429.91 g/mol
LogP5.38
Rot. Bonds6

About 2-(4-chlorobenzoyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide

2-(4-chlorobenzoyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide (PubChem CID 19401842) has the molecular formula C25H20ClN3O2 and a molecular weight of 429.91 g/mol. Its IUPAC name is 2-(4-chlorobenzoyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name2-(4-chlorobenzoyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide
PubChem CID19401842
Molecular FormulaC25H20ClN3O2
Molecular Weight429.91 g/mol
Exact Mass429.12
IUPAC Name2-(4-chlorobenzoyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide
SMILESCc1ccc(Cn2cc(NC(=O)c3ccccc3C(=O)c3ccc(Cl)cc3)cn2)cc1
InChIInChI=1S/C25H20ClN3O2/c1-17-6-8-18(9-7-17)15-29-16-21(14-27-29)28-25(31)23-5-3-2-4-22(23)24(30)19-10-12-20(26)13-11-19/h2-14,16H,15H2,1H3,(H,28,31)
InChIKeySVVVDWLFTZHYPK-UHFFFAOYSA-N
XLogP5.38
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.91
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19401906
2-(4-chlorobenzoyl)-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide
CID 19340402
2-(4-chlorobenzoyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19284701
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2,5-dimethylbenzamide
CID 19407730
2,5-dimethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19401831
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-1-ethyl-3-methylpyrazole-4-carboxamide
CID 19474193
2-(4-chlorobenzoyl)-N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19407351
2-fluoro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 17088846
4-ethoxy-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19400060
N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-2,4-dimethylbenzamide
CID 19404033
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-(4-methylpyrazol-1-yl)acetamide
CID 19526387
4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19407710

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorobenzoyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide?
The IUPAC name of 2-(4-chlorobenzoyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide (CID 19401842) is 2-(4-chlorobenzoyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide.
What is the SMILES notation for 2-(4-chlorobenzoyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide?
The canonical SMILES for 2-(4-chlorobenzoyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide is Cc1ccc(Cn2cc(NC(=O)c3ccccc3C(=O)c3ccc(Cl)cc3)cn2)cc1.
What is the InChIKey of 2-(4-chlorobenzoyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide?
The InChIKey is SVVVDWLFTZHYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN3O2/c1-17-6-8-18(9-7-17)15-29-16-21(14-27-29)28-25(31)23-5-3-2-4-22(23)24(30)19-10-12-20(26)13-11-19/h2-14,16H,15H2,1H3,(H,28,31).
What are the key properties of 2-(4-chlorobenzoyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide?
2-(4-chlorobenzoyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide has a molecular weight of 429.91 g/mol, XLogP of 5.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorobenzoyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 19401842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).