4-amino-3-chloro-N-(1,3-dimethylpyrazol-4-yl)benzamide

C12H13ClN4O — CID 102803289

IUPAC4-amino-3-chloro-N-(1,3-dimethylpyrazol-4-yl)benzamide
SMILESCc1nn(C)cc1NC(=O)c1ccc(N)c(Cl)c1
InChIInChI=1S/C12H13ClN4O/c1-7-11(6-17(2)16-7)15-12(18)8-3-4-10(14)9(13)5-8/h3-6H,14H2,1-2H3,(H,15,18)
InChIKeyDGIACKLTVXMUKH-UHFFFAOYSA-N
MW264.72 g/mol
LogP2.22
Rot. Bonds2

About 4-amino-3-chloro-N-(1,3-dimethylpyrazol-4-yl)benzamide

4-amino-3-chloro-N-(1,3-dimethylpyrazol-4-yl)benzamide (PubChem CID 102803289) has the molecular formula C12H13ClN4O and a molecular weight of 264.72 g/mol. Its IUPAC name is 4-amino-3-chloro-N-(1,3-dimethylpyrazol-4-yl)benzamide.

Molecular Properties

Compound Name4-amino-3-chloro-N-(1,3-dimethylpyrazol-4-yl)benzamide
PubChem CID102803289
Molecular FormulaC12H13ClN4O
Molecular Weight264.72 g/mol
Exact Mass264.08
IUPAC Name4-amino-3-chloro-N-(1,3-dimethylpyrazol-4-yl)benzamide
SMILESCc1nn(C)cc1NC(=O)c1ccc(N)c(Cl)c1
InChIInChI=1S/C12H13ClN4O/c1-7-11(6-17(2)16-7)15-12(18)8-3-4-10(14)9(13)5-8/h3-6H,14H2,1-2H3,(H,15,18)
InChIKeyDGIACKLTVXMUKH-UHFFFAOYSA-N
XLogP2.22
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 52.22
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

3-chloro-N-(1,3-dimethylpyrazol-4-yl)-4-iodobenzamide
CID 113251749
N-(1,3-dimethylpyrazol-4-yl)-3-hydroxy-4-methylbenzamide
CID 113358549
N-(1,3-dimethylpyrazol-4-yl)-3-methylbenzamide
CID 19346010
4-(aminomethyl)-N-(1,3-dimethylpyrazol-4-yl)benzamide
CID 103796977
methyl 4-[(1,3-dimethylpyrazol-4-yl)carbamoyl]benzoate
CID 19346192
N-(1,3-dimethylpyrazol-4-yl)-3,4-diethoxybenzamide
CID 19346004
N-(1,3-dimethylpyrazol-4-yl)-3-fluoro-4-methoxybenzamide
CID 134714010
N-(4-amino-5-chloro-2-methylphenyl)-3,4-dichlorobenzamide
CID 104667459
4-amino-N-(1,3-dimethylpyrazol-4-yl)-6-methylpyridine-3-carboxamide
CID 102807226
4-amino-N-(3-bromo-2-methylphenyl)-3-chlorobenzamide
CID 107623927
N-(1,3-dimethylpyrazol-4-yl)-4-ethoxybenzamide
CID 19346026
3-amino-N-(1,3-dimethylpyrazol-4-yl)pyridine-4-carboxamide
CID 102807250

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-chloro-N-(1,3-dimethylpyrazol-4-yl)benzamide?
The IUPAC name of 4-amino-3-chloro-N-(1,3-dimethylpyrazol-4-yl)benzamide (CID 102803289) is 4-amino-3-chloro-N-(1,3-dimethylpyrazol-4-yl)benzamide.
What is the SMILES notation for 4-amino-3-chloro-N-(1,3-dimethylpyrazol-4-yl)benzamide?
The canonical SMILES for 4-amino-3-chloro-N-(1,3-dimethylpyrazol-4-yl)benzamide is Cc1nn(C)cc1NC(=O)c1ccc(N)c(Cl)c1.
What is the InChIKey of 4-amino-3-chloro-N-(1,3-dimethylpyrazol-4-yl)benzamide?
The InChIKey is DGIACKLTVXMUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O/c1-7-11(6-17(2)16-7)15-12(18)8-3-4-10(14)9(13)5-8/h3-6H,14H2,1-2H3,(H,15,18).
What are the key properties of 4-amino-3-chloro-N-(1,3-dimethylpyrazol-4-yl)benzamide?
4-amino-3-chloro-N-(1,3-dimethylpyrazol-4-yl)benzamide has a molecular weight of 264.72 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-chloro-N-(1,3-dimethylpyrazol-4-yl)benzamide is sourced from PubChem (CID 102803289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).