5-amino-2-methoxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide

C13H16N4O2 — CID 63304703

IUPAC5-amino-2-methoxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide
SMILESCOc1ccc(N)cc1C(=O)NCc1ccnn1C
InChIInChI=1S/C13H16N4O2/c1-17-10(5-6-16-17)8-15-13(18)11-7-9(14)3-4-12(11)19-2/h3-7H,8,14H2,1-2H3,(H,15,18)
InChIKeyRJSNAYMHTFOWST-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.94
Rot. Bonds4

About 5-amino-2-methoxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide

5-amino-2-methoxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide (PubChem CID 63304703) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 5-amino-2-methoxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name5-amino-2-methoxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide
PubChem CID63304703
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name5-amino-2-methoxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide
SMILESCOc1ccc(N)cc1C(=O)NCc1ccnn1C
InChIInChI=1S/C13H16N4O2/c1-17-10(5-6-16-17)8-15-13(18)11-7-9(14)3-4-12(11)19-2/h3-7H,8,14H2,1-2H3,(H,15,18)
InChIKeyRJSNAYMHTFOWST-UHFFFAOYSA-N
XLogP0.94
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.94
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

5-amino-2-methoxy-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide
CID 103004068
4-amino-2-fluoro-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 55205164
5-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methoxybenzamide
CID 106032662
2-(2-methylpyrazol-3-yl)ethyl 5-amino-2-methoxybenzoate
CID 103013489
3,4,5-trimethoxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 30899209
5-amino-N-(furan-3-ylmethyl)-2-methoxybenzamide
CID 113228275
5-amino-N-[(4-bromophenyl)methyl]-2-methoxybenzamide
CID 61090611
3-amino-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 63304139
5-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methoxybenzamide
CID 106368719
5-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methoxybenzamide
CID 107229452
5-amino-2-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 61093193
5-amino-2-methoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 61141152

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methoxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide?
The IUPAC name of 5-amino-2-methoxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide (CID 63304703) is 5-amino-2-methoxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide.
What is the SMILES notation for 5-amino-2-methoxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide?
The canonical SMILES for 5-amino-2-methoxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide is COc1ccc(N)cc1C(=O)NCc1ccnn1C.
What is the InChIKey of 5-amino-2-methoxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide?
The InChIKey is RJSNAYMHTFOWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-17-10(5-6-16-17)8-15-13(18)11-7-9(14)3-4-12(11)19-2/h3-7H,8,14H2,1-2H3,(H,15,18).
What are the key properties of 5-amino-2-methoxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide?
5-amino-2-methoxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide has a molecular weight of 260.30 g/mol, XLogP of 0.94, 4 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-[(2-methylpyrazol-3-yl)methyl]benzamide is sourced from PubChem (CID 63304703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).