2-amino-3-methoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide

C14H18N4O2 — CID 106103852

IUPAC2-amino-3-methoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide
SMILESCOc1cccc(C(=O)NCCc2ccn(C)n2)c1N
InChIInChI=1S/C14H18N4O2/c1-18-9-7-10(17-18)6-8-16-14(19)11-4-3-5-12(20-2)13(11)15/h3-5,7,9H,6,8,15H2,1-2H3,(H,16,19)
InChIKeyTYIBVWONXWCBMH-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.98
Rot. Bonds5

About 2-amino-3-methoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide

2-amino-3-methoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide (PubChem CID 106103852) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-amino-3-methoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-amino-3-methoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide
PubChem CID106103852
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name2-amino-3-methoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide
SMILESCOc1cccc(C(=O)NCCc2ccn(C)n2)c1N
InChIInChI=1S/C14H18N4O2/c1-18-9-7-10(17-18)6-8-16-14(19)11-4-3-5-12(20-2)13(11)15/h3-5,7,9H,6,8,15H2,1-2H3,(H,16,19)
InChIKeyTYIBVWONXWCBMH-UHFFFAOYSA-N
XLogP0.98
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.98
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

2-amino-3-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide
CID 106103857
6-amino-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2-carboxamide
CID 114144108
2-amino-5-hydroxy-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide
CID 106103789
5-amino-N-[2-(1-methylpyrazol-3-yl)ethyl]-1H-pyrazole-4-carboxamide
CID 106106156
3-amino-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2-carboxamide
CID 106104946
2-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 106104145
4-amino-6-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-3-carboxamide
CID 106106388
N-[2-(1-methylpyrazol-3-yl)ethyl]-6-oxo-1H-pyridine-2-carboxamide
CID 106106203
5-amino-2-(dimethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide
CID 106103817
2-[4-(aminomethyl)phenyl]-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide
CID 106103870
2-bromo-5-fluoro-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide
CID 104627197
3-amino-N-[2-(1-methylpyrazol-3-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 106106547

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide?
The IUPAC name of 2-amino-3-methoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide (CID 106103852) is 2-amino-3-methoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide.
What is the SMILES notation for 2-amino-3-methoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide?
The canonical SMILES for 2-amino-3-methoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide is COc1cccc(C(=O)NCCc2ccn(C)n2)c1N.
What is the InChIKey of 2-amino-3-methoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide?
The InChIKey is TYIBVWONXWCBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-18-9-7-10(17-18)6-8-16-14(19)11-4-3-5-12(20-2)13(11)15/h3-5,7,9H,6,8,15H2,1-2H3,(H,16,19).
What are the key properties of 2-amino-3-methoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide?
2-amino-3-methoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide has a molecular weight of 274.32 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide is sourced from PubChem (CID 106103852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).