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

C12H14N4O2 — CID 114255282

IUPAC4-amino-N-(5-methoxy-1-methylpyrazol-3-yl)benzamide
SMILESCOc1cc(NC(=O)c2ccc(N)cc2)nn1C
InChIInChI=1S/C12H14N4O2/c1-16-11(18-2)7-10(15-16)14-12(17)8-3-5-9(13)6-4-8/h3-7H,13H2,1-2H3,(H,14,15,17)
InChIKeyUGZQHEQMQNYDJG-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.26
Rot. Bonds3

About 4-amino-N-(5-methoxy-1-methylpyrazol-3-yl)benzamide

4-amino-N-(5-methoxy-1-methylpyrazol-3-yl)benzamide (PubChem CID 114255282) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 4-amino-N-(5-methoxy-1-methylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name4-amino-N-(5-methoxy-1-methylpyrazol-3-yl)benzamide
PubChem CID114255282
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name4-amino-N-(5-methoxy-1-methylpyrazol-3-yl)benzamide
SMILESCOc1cc(NC(=O)c2ccc(N)cc2)nn1C
InChIInChI=1S/C12H14N4O2/c1-16-11(18-2)7-10(15-16)14-12(17)8-3-5-9(13)6-4-8/h3-7H,13H2,1-2H3,(H,14,15,17)
InChIKeyUGZQHEQMQNYDJG-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-N-(5-methoxy-1-methylpyrazol-3-yl)-1H-pyrazole-5-carboxamide
CID 114255287
2-chloro-N-(5-methoxy-1-methylpyrazol-3-yl)propanamide
CID 130497501
(2S)-2-amino-N-(5-methoxy-1-methylpyrazol-3-yl)-3-methylpentanamide
CID 114255933
4-bromo-N-(1,5-dimethylpyrazol-3-yl)benzamide
CID 35761193
3-amino-3-hydroxyimino-N-(5-methoxy-1-methylpyrazol-3-yl)-2,2-dimethylpropanamide
CID 114256333
2-(4-methoxy-2-methylphenyl)-N-(5-methoxy-1-methylpyrazol-3-yl)acetamide
CID 138027048
2-(butan-2-ylamino)-N-(5-methoxy-1-methylpyrazol-3-yl)acetamide
CID 114255909
3-amino-4-methoxy-N-(1-methylpyrazol-3-yl)benzamide
CID 60808969
4-fluoro-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]benzamide
CID 114255745
5-amino-N-(1,5-dimethylpyrazol-3-yl)pyridine-2-carboxamide
CID 114253348
N-(5-amino-2-pyridinyl)-3,4-dimethoxybenzamide
CID 43144619
N-carbamoyl-5-methoxy-1-methylpyrazole-3-carboxamide
CID 130497434

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-methoxy-1-methylpyrazol-3-yl)benzamide?
The IUPAC name of 4-amino-N-(5-methoxy-1-methylpyrazol-3-yl)benzamide (CID 114255282) is 4-amino-N-(5-methoxy-1-methylpyrazol-3-yl)benzamide.
What is the SMILES notation for 4-amino-N-(5-methoxy-1-methylpyrazol-3-yl)benzamide?
The canonical SMILES for 4-amino-N-(5-methoxy-1-methylpyrazol-3-yl)benzamide is COc1cc(NC(=O)c2ccc(N)cc2)nn1C.
What is the InChIKey of 4-amino-N-(5-methoxy-1-methylpyrazol-3-yl)benzamide?
The InChIKey is UGZQHEQMQNYDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-16-11(18-2)7-10(15-16)14-12(17)8-3-5-9(13)6-4-8/h3-7H,13H2,1-2H3,(H,14,15,17).
What are the key properties of 4-amino-N-(5-methoxy-1-methylpyrazol-3-yl)benzamide?
4-amino-N-(5-methoxy-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 4-amino-N-(5-methoxy-1-methylpyrazol-3-yl)benzamide is sourced from PubChem (CID 114255282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).