2-(4-chlorobenzoyl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide

C25H20ClN3O2 — CID 19400996

IUPAC2-(4-chlorobenzoyl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide
SMILESCc1cccc(Cn2ccc(NC(=O)c3ccccc3C(=O)c3ccc(Cl)cc3)n2)c1
InChIInChI=1S/C25H20ClN3O2/c1-17-5-4-6-18(15-17)16-29-14-13-23(28-29)27-25(31)22-8-3-2-7-21(22)24(30)19-9-11-20(26)12-10-19/h2-15H,16H2,1H3,(H,27,28,31)
InChIKeyBBXCBLOCEJOIRP-UHFFFAOYSA-N
MW429.91 g/mol
LogP5.38
Rot. Bonds6

About 2-(4-chlorobenzoyl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide

2-(4-chlorobenzoyl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide (PubChem CID 19400996) has the molecular formula C25H20ClN3O2 and a molecular weight of 429.91 g/mol. Its IUPAC name is 2-(4-chlorobenzoyl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name2-(4-chlorobenzoyl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide
PubChem CID19400996
Molecular FormulaC25H20ClN3O2
Molecular Weight429.91 g/mol
Exact Mass429.12
IUPAC Name2-(4-chlorobenzoyl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide
SMILESCc1cccc(Cn2ccc(NC(=O)c3ccccc3C(=O)c3ccc(Cl)cc3)n2)c1
InChIInChI=1S/C25H20ClN3O2/c1-17-5-4-6-18(15-17)16-29-14-13-23(28-29)27-25(31)22-8-3-2-7-21(22)24(30)19-9-11-20(26)12-10-19/h2-15H,16H2,1H3,(H,27,28,31)
InChIKeyBBXCBLOCEJOIRP-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-(4-chlorobenzoyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19284701
N-(1-benzylpyrazol-3-yl)-3-methylbenzamide
CID 19286119
4-bromo-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19400841
4-methoxy-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19400896
1,5-dimethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide
CID 19279717
3-[(4-chlorophenoxy)methyl]-4-methoxy-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19400902
2,4-dimethoxy-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19400990
N-(1-benzylpyrazol-3-yl)-3-chlorobenzamide
CID 2991624
2-bromo-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19283683
1,3,5-trimethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazole-4-carboxamide
CID 19281654
3-(4-chloropyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]propanamide
CID 19539596
2-(4-chlorobenzoyl)-N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19402799

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorobenzoyl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide?
The IUPAC name of 2-(4-chlorobenzoyl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide (CID 19400996) is 2-(4-chlorobenzoyl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide.
What is the SMILES notation for 2-(4-chlorobenzoyl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide?
The canonical SMILES for 2-(4-chlorobenzoyl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide is Cc1cccc(Cn2ccc(NC(=O)c3ccccc3C(=O)c3ccc(Cl)cc3)n2)c1.
What is the InChIKey of 2-(4-chlorobenzoyl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide?
The InChIKey is BBXCBLOCEJOIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN3O2/c1-17-5-4-6-18(15-17)16-29-14-13-23(28-29)27-25(31)22-8-3-2-7-21(22)24(30)19-9-11-20(26)12-10-19/h2-15H,16H2,1H3,(H,27,28,31).
What are the key properties of 2-(4-chlorobenzoyl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide?
2-(4-chlorobenzoyl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-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-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 19400996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).