5-amino-2-methoxy-N-(1-methylpyrazol-3-yl)benzamide

C12H14N4O2 — CID 61104250

IUPAC5-amino-2-methoxy-N-(1-methylpyrazol-3-yl)benzamide
SMILESCOc1ccc(N)cc1C(=O)Nc1ccn(C)n1
InChIInChI=1S/C12H14N4O2/c1-16-6-5-11(15-16)14-12(17)9-7-8(13)3-4-10(9)18-2/h3-7H,13H2,1-2H3,(H,14,15,17)
InChIKeyUSSJLSGAIKPCLC-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.26
Rot. Bonds3

About 5-amino-2-methoxy-N-(1-methylpyrazol-3-yl)benzamide

5-amino-2-methoxy-N-(1-methylpyrazol-3-yl)benzamide (PubChem CID 61104250) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 5-amino-2-methoxy-N-(1-methylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name5-amino-2-methoxy-N-(1-methylpyrazol-3-yl)benzamide
PubChem CID61104250
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name5-amino-2-methoxy-N-(1-methylpyrazol-3-yl)benzamide
SMILESCOc1ccc(N)cc1C(=O)Nc1ccn(C)n1
InChIInChI=1S/C12H14N4O2/c1-16-6-5-11(15-16)14-12(17)9-7-8(13)3-4-10(9)18-2/h3-7H,13H2,1-2H3,(H,14,15,17)
InChIKeyUSSJLSGAIKPCLC-UHFFFAOYSA-N
XLogP1.26
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-methoxy-N-(1-methylpyrazol-3-yl)benzamide
CID 60808969
5-amino-2-methoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 61090906
5-amino-2-methyl-N-(1-methylpyrazol-3-yl)pyridine-3-carboxamide
CID 54917547
5-amino-N-(6-fluoro-2-pyridinyl)-2-methoxybenzamide
CID 116812517
5-amino-2-methoxy-N-(1-methylpyrazol-3-yl)benzenesulfonamide
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2,4-dimethyl-N-(1-methylpyrazol-3-yl)benzamide
CID 19405127
5-amino-N-[1-(2-methoxyethyl)pyrazol-3-yl]-2-methylbenzamide
CID 120630096
4-methoxy-N-(1-methylpyrazol-3-yl)-3-phenylbenzamide
CID 49320232
2-amino-N-(1-methylpyrazol-3-yl)quinoline-4-carboxamide
CID 62160962
5-chloro-N-(1-ethylpyrazol-3-yl)-2-methoxybenzamide
CID 35286166
5-amino-N-(2-chloro-4-methylphenyl)-2-methoxybenzamide
CID 61093558
5-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methoxybenzamide
CID 104616428

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methoxy-N-(1-methylpyrazol-3-yl)benzamide?
The IUPAC name of 5-amino-2-methoxy-N-(1-methylpyrazol-3-yl)benzamide (CID 61104250) is 5-amino-2-methoxy-N-(1-methylpyrazol-3-yl)benzamide.
What is the SMILES notation for 5-amino-2-methoxy-N-(1-methylpyrazol-3-yl)benzamide?
The canonical SMILES for 5-amino-2-methoxy-N-(1-methylpyrazol-3-yl)benzamide is COc1ccc(N)cc1C(=O)Nc1ccn(C)n1.
What is the InChIKey of 5-amino-2-methoxy-N-(1-methylpyrazol-3-yl)benzamide?
The InChIKey is USSJLSGAIKPCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-16-6-5-11(15-16)14-12(17)9-7-8(13)3-4-10(9)18-2/h3-7H,13H2,1-2H3,(H,14,15,17).
What are the key properties of 5-amino-2-methoxy-N-(1-methylpyrazol-3-yl)benzamide?
5-amino-2-methoxy-N-(1-methylpyrazol-3-yl)benzamide has a molecular weight of 246.27 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methoxy-N-(1-methylpyrazol-3-yl)benzamide is sourced from PubChem (CID 61104250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).