2-amino-4-methoxy-N-(2-methylpyrazol-3-yl)benzamide

C12H14N4O2 — CID 113305163

IUPAC2-amino-4-methoxy-N-(2-methylpyrazol-3-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccnn2C)c(N)c1
InChIInChI=1S/C12H14N4O2/c1-16-11(5-6-14-16)15-12(17)9-4-3-8(18-2)7-10(9)13/h3-7H,13H2,1-2H3,(H,15,17)
InChIKeyYZUIWWWPZWLDJW-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.26
Rot. Bonds3

About 2-amino-4-methoxy-N-(2-methylpyrazol-3-yl)benzamide

2-amino-4-methoxy-N-(2-methylpyrazol-3-yl)benzamide (PubChem CID 113305163) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-amino-4-methoxy-N-(2-methylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name2-amino-4-methoxy-N-(2-methylpyrazol-3-yl)benzamide
PubChem CID113305163
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name2-amino-4-methoxy-N-(2-methylpyrazol-3-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccnn2C)c(N)c1
InChIInChI=1S/C12H14N4O2/c1-16-11(5-6-14-16)15-12(17)9-4-3-8(18-2)7-10(9)13/h3-7H,13H2,1-2H3,(H,15,17)
InChIKeyYZUIWWWPZWLDJW-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

ethyl 5-[(2-amino-4-methoxybenzoyl)amino]-1-methylpyrazole-4-carboxylate
CID 110451725
2-amino-4-methoxy-N-pyrazin-2-ylbenzamide
CID 113305136
2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-methoxybenzamide
CID 115413411
2-amino-N-hydroxy-4-methoxybenzamide
CID 115413301
2-amino-4-methoxy-N-pyrimidin-5-ylbenzamide
CID 107588666
2-amino-N-(2-methylpyrazol-3-yl)-5-nitrobenzamide
CID 62161256
2-amino-N-(4-fluorophenyl)-4-methoxybenzamide
CID 82547001
2-amino-4-methoxy-N-propan-2-ylbenzamide
CID 14274445
2-amino-N-(2-hydroxy-5-methylphenyl)-4-methoxybenzamide
CID 80504227
2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-4-methoxybenzamide
CID 107463102
2-amino-N-(2,6-dichlorophenyl)-4-methoxybenzamide
CID 110451620
N-(3-acetamidophenyl)-2-amino-4-methoxybenzamide
CID 82546305

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methoxy-N-(2-methylpyrazol-3-yl)benzamide?
The IUPAC name of 2-amino-4-methoxy-N-(2-methylpyrazol-3-yl)benzamide (CID 113305163) is 2-amino-4-methoxy-N-(2-methylpyrazol-3-yl)benzamide.
What is the SMILES notation for 2-amino-4-methoxy-N-(2-methylpyrazol-3-yl)benzamide?
The canonical SMILES for 2-amino-4-methoxy-N-(2-methylpyrazol-3-yl)benzamide is COc1ccc(C(=O)Nc2ccnn2C)c(N)c1.
What is the InChIKey of 2-amino-4-methoxy-N-(2-methylpyrazol-3-yl)benzamide?
The InChIKey is YZUIWWWPZWLDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-16-11(5-6-14-16)15-12(17)9-4-3-8(18-2)7-10(9)13/h3-7H,13H2,1-2H3,(H,15,17).
What are the key properties of 2-amino-4-methoxy-N-(2-methylpyrazol-3-yl)benzamide?
2-amino-4-methoxy-N-(2-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 2-amino-4-methoxy-N-(2-methylpyrazol-3-yl)benzamide is sourced from PubChem (CID 113305163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).