N-[(1,5-dimethylpyrazol-3-yl)methyl]-2,4-dimethylbenzamide

C15H19N3O — CID 19329057

IUPACN-[(1,5-dimethylpyrazol-3-yl)methyl]-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCc2cc(C)n(C)n2)c(C)c1
InChIInChI=1S/C15H19N3O/c1-10-5-6-14(11(2)7-10)15(19)16-9-13-8-12(3)18(4)17-13/h5-8H,9H2,1-4H3,(H,16,19)
InChIKeyCBNXJTKMSKWMEE-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.28
Rot. Bonds3

About N-[(1,5-dimethylpyrazol-3-yl)methyl]-2,4-dimethylbenzamide

N-[(1,5-dimethylpyrazol-3-yl)methyl]-2,4-dimethylbenzamide (PubChem CID 19329057) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-3-yl)methyl]-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-3-yl)methyl]-2,4-dimethylbenzamide
PubChem CID19329057
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-[(1,5-dimethylpyrazol-3-yl)methyl]-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCc2cc(C)n(C)n2)c(C)c1
InChIInChI=1S/C15H19N3O/c1-10-5-6-14(11(2)7-10)15(19)16-9-13-8-12(3)18(4)17-13/h5-8H,9H2,1-4H3,(H,16,19)
InChIKeyCBNXJTKMSKWMEE-UHFFFAOYSA-N
XLogP2.28
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1,5-dimethylpyrazol-3-yl)methyl]-2,4-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-[(1,5-dimethylpyrazol-3-yl)methyl]-3,4-dimethylbenzamide
CID 19329054
N-[(1,5-dimethylpyrazol-3-yl)methyl]-2,4-dimethoxybenzamide
CID 19329060
4-hydroxy-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 113343584
2-bromo-4-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 82872826
2,4-dimethyl-N-[(1-methylbenzimidazol-5-yl)methyl]benzamide
CID 53014028
2-fluoro-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 82882306
N-[[4-(chloromethyl)phenyl]methyl]-2,4-dimethylbenzamide
CID 107233380
N-[[4-(bromomethyl)phenyl]methyl]-2,4-dimethylbenzamide
CID 107233714
N-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-2,4-dimethylbenzamide
CID 53163339
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-2,4-dimethylbenzamide
CID 19330154
2,4-dimethyl-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide
CID 91967457
N-[(3-hydroxyphenyl)methyl]-2,4-dimethylbenzamide
CID 47292289

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-3-yl)methyl]-2,4-dimethylbenzamide?
The IUPAC name of N-[(1,5-dimethylpyrazol-3-yl)methyl]-2,4-dimethylbenzamide (CID 19329057) is N-[(1,5-dimethylpyrazol-3-yl)methyl]-2,4-dimethylbenzamide.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-3-yl)methyl]-2,4-dimethylbenzamide?
The canonical SMILES for N-[(1,5-dimethylpyrazol-3-yl)methyl]-2,4-dimethylbenzamide is Cc1ccc(C(=O)NCc2cc(C)n(C)n2)c(C)c1.
What is the InChIKey of N-[(1,5-dimethylpyrazol-3-yl)methyl]-2,4-dimethylbenzamide?
The InChIKey is CBNXJTKMSKWMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10-5-6-14(11(2)7-10)15(19)16-9-13-8-12(3)18(4)17-13/h5-8H,9H2,1-4H3,(H,16,19).
What are the key properties of N-[(1,5-dimethylpyrazol-3-yl)methyl]-2,4-dimethylbenzamide?
N-[(1,5-dimethylpyrazol-3-yl)methyl]-2,4-dimethylbenzamide has a molecular weight of 257.34 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-3-yl)methyl]-2,4-dimethylbenzamide is sourced from PubChem (CID 19329057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).