2,4-dichloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzamide

C13H13Cl2N3O — CID 19282119

IUPAC2,4-dichloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzamide
SMILESCc1c(CNC(=O)c2ccc(Cl)cc2Cl)cnn1C
InChIInChI=1S/C13H13Cl2N3O/c1-8-9(7-17-18(8)2)6-16-13(19)11-4-3-10(14)5-12(11)15/h3-5,7H,6H2,1-2H3,(H,16,19)
InChIKeySBFZOJJSZDXVII-UHFFFAOYSA-N
MW298.17 g/mol
LogP2.97
Rot. Bonds3

About 2,4-dichloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzamide

2,4-dichloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzamide (PubChem CID 19282119) has the molecular formula C13H13Cl2N3O and a molecular weight of 298.17 g/mol. Its IUPAC name is 2,4-dichloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzamide
PubChem CID19282119
Molecular FormulaC13H13Cl2N3O
Molecular Weight298.17 g/mol
Exact Mass297.04
IUPAC Name2,4-dichloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzamide
SMILESCc1c(CNC(=O)c2ccc(Cl)cc2Cl)cnn1C
InChIInChI=1S/C13H13Cl2N3O/c1-8-9(7-17-18(8)2)6-16-13(19)11-4-3-10(14)5-12(11)15/h3-5,7H,6H2,1-2H3,(H,16,19)
InChIKeySBFZOJJSZDXVII-UHFFFAOYSA-N
XLogP2.97
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.17
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,4-dichloro-N-[(1,5-dimethylpyrazol-4-yl)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

5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(methylamino)benzamide
CID 106049975
5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-nitrobenzamide
CID 103861027
2,6-dichloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 103862411
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-fluoro-4-hydroxybenzamide
CID 104930006
2-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-nitrobenzamide
CID 831767
4-[(2,4-dichlorophenoxy)methyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzamide
CID 19571726
5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(methylamino)pyridine-4-carboxamide
CID 106049955
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-fluoro-4-methoxybenzamide
CID 103860981
3-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-nitrobenzamide
CID 103861041
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3-difluoropyridine-4-carboxamide
CID 103187314
2-chloro-4-[(1,5-dimethylpyrazol-4-yl)methylamino]benzoic acid
CID 106042702
2-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-fluorobenzamide
CID 103861008

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzamide (CID 19282119) is 2,4-dichloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzamide is Cc1c(CNC(=O)c2ccc(Cl)cc2Cl)cnn1C.
What is the InChIKey of 2,4-dichloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzamide?
The InChIKey is SBFZOJJSZDXVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O/c1-8-9(7-17-18(8)2)6-16-13(19)11-4-3-10(14)5-12(11)15/h3-5,7H,6H2,1-2H3,(H,16,19).
What are the key properties of 2,4-dichloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzamide?
2,4-dichloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzamide has a molecular weight of 298.17 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 19282119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).