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

C14H17ClN4O — CID 106049975

IUPAC5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(methylamino)benzamide
SMILESCNc1ccc(Cl)cc1C(=O)NCc1cnn(C)c1C
InChIInChI=1S/C14H17ClN4O/c1-9-10(8-18-19(9)3)7-17-14(20)12-6-11(15)4-5-13(12)16-2/h4-6,8,16H,7H2,1-3H3,(H,17,20)
InChIKeyPTOUJFRZOBOHCY-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.35
Rot. Bonds4

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

5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(methylamino)benzamide (PubChem CID 106049975) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is 5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(methylamino)benzamide.

Molecular Properties

Compound Name5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(methylamino)benzamide
PubChem CID106049975
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Name5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(methylamino)benzamide
SMILESCNc1ccc(Cl)cc1C(=O)NCc1cnn(C)c1C
InChIInChI=1S/C14H17ClN4O/c1-9-10(8-18-19(9)3)7-17-14(20)12-6-11(15)4-5-13(12)16-2/h4-6,8,16H,7H2,1-3H3,(H,17,20)
InChIKeyPTOUJFRZOBOHCY-UHFFFAOYSA-N
XLogP2.35
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(methylamino)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

2,4-dichloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzamide
CID 19282119
5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-nitrobenzamide
CID 103861027
5-chloro-2-(methylamino)-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114701870
5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(methylamino)pyridine-4-carboxamide
CID 106049955
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
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-hydrazinylpyridine-4-carboxamide
CID 106040133
2-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-nitrobenzamide
CID 831767
4-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylaniline
CID 79578705
5-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(methylamino)pyridine-3-carboxamide
CID 106049939
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(ethylamino)benzamide
CID 106049267
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3-difluoropyridine-4-carboxamide
CID 103187314

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(methylamino)benzamide?
The IUPAC name of 5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(methylamino)benzamide (CID 106049975) is 5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(methylamino)benzamide.
What is the SMILES notation for 5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(methylamino)benzamide?
The canonical SMILES for 5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(methylamino)benzamide is CNc1ccc(Cl)cc1C(=O)NCc1cnn(C)c1C.
What is the InChIKey of 5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(methylamino)benzamide?
The InChIKey is PTOUJFRZOBOHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O/c1-9-10(8-18-19(9)3)7-17-14(20)12-6-11(15)4-5-13(12)16-2/h4-6,8,16H,7H2,1-3H3,(H,17,20).
What are the key properties of 5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(methylamino)benzamide?
5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(methylamino)benzamide has a molecular weight of 292.77 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(methylamino)benzamide is sourced from PubChem (CID 106049975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).