2-amino-4-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]benzamide

C13H15ClN4O — CID 112668155

IUPAC2-amino-4-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]benzamide
SMILESCc1nn(C)cc1CNC(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C13H15ClN4O/c1-8-9(7-18(2)17-8)6-16-13(19)11-4-3-10(14)5-12(11)15/h3-5,7H,6,15H2,1-2H3,(H,16,19)
InChIKeyHQIAEEFPPVNQJW-UHFFFAOYSA-N
MW278.74 g/mol
LogP1.89
Rot. Bonds3

About 2-amino-4-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]benzamide

2-amino-4-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]benzamide (PubChem CID 112668155) has the molecular formula C13H15ClN4O and a molecular weight of 278.74 g/mol. Its IUPAC name is 2-amino-4-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name2-amino-4-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]benzamide
PubChem CID112668155
Molecular FormulaC13H15ClN4O
Molecular Weight278.74 g/mol
Exact Mass278.09
IUPAC Name2-amino-4-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]benzamide
SMILESCc1nn(C)cc1CNC(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C13H15ClN4O/c1-8-9(7-18(2)17-8)6-16-13(19)11-4-3-10(14)5-12(11)15/h3-5,7H,6,15H2,1-2H3,(H,16,19)
InChIKeyHQIAEEFPPVNQJW-UHFFFAOYSA-N
XLogP1.89
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]benzamide
CID 115988889
2-amino-5-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]benzamide
CID 112670930
2-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-hydroxybenzamide
CID 107075896
2-amino-4-chloro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 79225523
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-hydroxy-4-methylbenzamide
CID 112670100
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-fluorobenzamide
CID 112668766
5-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methylpyrazole-4-carboxamide
CID 112671836
2-(2-aminophenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide
CID 112668170
2-[(1,3-dimethylpyrazol-4-yl)methylcarbamoyl]benzoic acid
CID 115989224
5-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1H-pyrazole-4-carboxamide
CID 112671835
6-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 112671966
2-amino-4-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]benzamide
CID 115989913

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]benzamide?
The IUPAC name of 2-amino-4-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]benzamide (CID 112668155) is 2-amino-4-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for 2-amino-4-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]benzamide?
The canonical SMILES for 2-amino-4-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]benzamide is Cc1nn(C)cc1CNC(=O)c1ccc(Cl)cc1N.
What is the InChIKey of 2-amino-4-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]benzamide?
The InChIKey is HQIAEEFPPVNQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O/c1-8-9(7-18(2)17-8)6-16-13(19)11-4-3-10(14)5-12(11)15/h3-5,7H,6,15H2,1-2H3,(H,16,19).
What are the key properties of 2-amino-4-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]benzamide?
2-amino-4-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]benzamide has a molecular weight of 278.74 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 112668155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).