N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3,4-dimethylbenzamide

C20H20ClN3O — CID 19411607

IUPACN-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2cc(C)n(Cc3cccc(Cl)c3)n2)cc1C
InChIInChI=1S/C20H20ClN3O/c1-13-7-8-17(9-14(13)2)20(25)22-19-10-15(3)24(23-19)12-16-5-4-6-18(21)11-16/h4-11H,12H2,1-3H3,(H,22,23,25)
InChIKeyLZJFTZXLRCEXPV-UHFFFAOYSA-N
MW353.85 g/mol
LogP4.76
Rot. Bonds4

About N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3,4-dimethylbenzamide

N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3,4-dimethylbenzamide (PubChem CID 19411607) has the molecular formula C20H20ClN3O and a molecular weight of 353.85 g/mol. Its IUPAC name is N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3,4-dimethylbenzamide
PubChem CID19411607
Molecular FormulaC20H20ClN3O
Molecular Weight353.85 g/mol
Exact Mass353.13
IUPAC NameN-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2cc(C)n(Cc3cccc(Cl)c3)n2)cc1C
InChIInChI=1S/C20H20ClN3O/c1-13-7-8-17(9-14(13)2)20(25)22-19-10-15(3)24(23-19)12-16-5-4-6-18(21)11-16/h4-11H,12H2,1-3H3,(H,22,23,25)
InChIKeyLZJFTZXLRCEXPV-UHFFFAOYSA-N
XLogP4.76
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3,4-dimethylbenzamide 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

N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-fluorobenzamide
CID 19411471
methyl 4-[[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]carbamoyl]benzoate
CID 19411591
N-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-3,4-dimethylbenzamide
CID 19339600
N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]acetamide
CID 19337089
N-[1-[(3-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3,4-dimethylbenzamide
CID 19396090
N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-1-ethylpyrazole-3-carboxamide
CID 19411385
N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-2,4-dimethoxybenzamide
CID 19411613
2-[4-[[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19504765
3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide
CID 19283987
N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-(2-methylphenoxy)acetamide
CID 19411642
1-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-propylthiourea
CID 19403536
4-fluoro-N-[5-methyl-1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 17052782

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3,4-dimethylbenzamide?
The IUPAC name of N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3,4-dimethylbenzamide (CID 19411607) is N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3,4-dimethylbenzamide is Cc1ccc(C(=O)Nc2cc(C)n(Cc3cccc(Cl)c3)n2)cc1C.
What is the InChIKey of N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3,4-dimethylbenzamide?
The InChIKey is LZJFTZXLRCEXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O/c1-13-7-8-17(9-14(13)2)20(25)22-19-10-15(3)24(23-19)12-16-5-4-6-18(21)11-16/h4-11H,12H2,1-3H3,(H,22,23,25).
What are the key properties of N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3,4-dimethylbenzamide?
N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3,4-dimethylbenzamide has a molecular weight of 353.85 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3,4-dimethylbenzamide is sourced from PubChem (CID 19411607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).