4-[4-(4-chlorophenyl)pyrazol-1-yl]-N-[(2-methoxyphenyl)methyl]benzamide

C24H20ClN3O2 — CID 3610947

IUPAC4-[4-(4-chlorophenyl)pyrazol-1-yl]-N-[(2-methoxyphenyl)methyl]benzamide
SMILESCOc1ccccc1CNC(=O)c1ccc(-n2cc(-c3ccc(Cl)cc3)cn2)cc1
InChIInChI=1S/C24H20ClN3O2/c1-30-23-5-3-2-4-19(23)14-26-24(29)18-8-12-22(13-9-18)28-16-20(15-27-28)17-6-10-21(25)11-7-17/h2-13,15-16H,14H2,1H3,(H,26,29)
InChIKeyNTUJBCMTQLUFBM-UHFFFAOYSA-N
MW417.90 g/mol
LogP5.13
Rot. Bonds6

About 4-[4-(4-chlorophenyl)pyrazol-1-yl]-N-[(2-methoxyphenyl)methyl]benzamide

4-[4-(4-chlorophenyl)pyrazol-1-yl]-N-[(2-methoxyphenyl)methyl]benzamide (PubChem CID 3610947) has the molecular formula C24H20ClN3O2 and a molecular weight of 417.90 g/mol. Its IUPAC name is 4-[4-(4-chlorophenyl)pyrazol-1-yl]-N-[(2-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-[4-(4-chlorophenyl)pyrazol-1-yl]-N-[(2-methoxyphenyl)methyl]benzamide
PubChem CID3610947
Molecular FormulaC24H20ClN3O2
Molecular Weight417.90 g/mol
Exact Mass417.12
IUPAC Name4-[4-(4-chlorophenyl)pyrazol-1-yl]-N-[(2-methoxyphenyl)methyl]benzamide
SMILESCOc1ccccc1CNC(=O)c1ccc(-n2cc(-c3ccc(Cl)cc3)cn2)cc1
InChIInChI=1S/C24H20ClN3O2/c1-30-23-5-3-2-4-19(23)14-26-24(29)18-8-12-22(13-9-18)28-16-20(15-27-28)17-6-10-21(25)11-7-17/h2-13,15-16H,14H2,1H3,(H,26,29)
InChIKeyNTUJBCMTQLUFBM-UHFFFAOYSA-N
XLogP5.13
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.90
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[4-(4-chlorophenyl)pyrazol-1-yl]-N-[(2-methoxyphenyl)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazole-4-carboxamide
CID 47046691
4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(2-methoxyphenyl)methyl]benzamide
CID 9404788
1-[(2-chlorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]pyrazole-4-carboxamide
CID 51272109
N-[2-(2-methoxyphenyl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 27757113
3-[1-(4-chlorophenyl)triazol-4-yl]-N-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 53170395
2-(4-chloroanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 109257832
6-[(4-chlorophenyl)methylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109156901
1-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 50904512
1-(4-chlorophenyl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pyrazole-4-carboxamide
CID 56518265
2-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]tetrazole-5-carboxamide
CID 71791497
4-tert-butyl-N-[(2-methoxyphenyl)methyl]benzamide
CID 795553
1-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3-[2-(2-methoxyphenyl)ethyl]-2-methylguanidine
CID 111581103

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chlorophenyl)pyrazol-1-yl]-N-[(2-methoxyphenyl)methyl]benzamide?
The IUPAC name of 4-[4-(4-chlorophenyl)pyrazol-1-yl]-N-[(2-methoxyphenyl)methyl]benzamide (CID 3610947) is 4-[4-(4-chlorophenyl)pyrazol-1-yl]-N-[(2-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for 4-[4-(4-chlorophenyl)pyrazol-1-yl]-N-[(2-methoxyphenyl)methyl]benzamide?
The canonical SMILES for 4-[4-(4-chlorophenyl)pyrazol-1-yl]-N-[(2-methoxyphenyl)methyl]benzamide is COc1ccccc1CNC(=O)c1ccc(-n2cc(-c3ccc(Cl)cc3)cn2)cc1.
What is the InChIKey of 4-[4-(4-chlorophenyl)pyrazol-1-yl]-N-[(2-methoxyphenyl)methyl]benzamide?
The InChIKey is NTUJBCMTQLUFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O2/c1-30-23-5-3-2-4-19(23)14-26-24(29)18-8-12-22(13-9-18)28-16-20(15-27-28)17-6-10-21(25)11-7-17/h2-13,15-16H,14H2,1H3,(H,26,29).
What are the key properties of 4-[4-(4-chlorophenyl)pyrazol-1-yl]-N-[(2-methoxyphenyl)methyl]benzamide?
4-[4-(4-chlorophenyl)pyrazol-1-yl]-N-[(2-methoxyphenyl)methyl]benzamide has a molecular weight of 417.90 g/mol, XLogP of 5.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorophenyl)pyrazol-1-yl]-N-[(2-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 3610947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).