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

C14H18N4O2 — CID 103004068

IUPAC5-amino-2-methoxy-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide
SMILESCOc1ccc(N)cc1C(=O)NCCc1ccnn1C
InChIInChI=1S/C14H18N4O2/c1-18-11(6-8-17-18)5-7-16-14(19)12-9-10(15)3-4-13(12)20-2/h3-4,6,8-9H,5,7,15H2,1-2H3,(H,16,19)
InChIKeyQEBAYKIHIAYCTP-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.98
Rot. Bonds5

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

5-amino-2-methoxy-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide (PubChem CID 103004068) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 5-amino-2-methoxy-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name5-amino-2-methoxy-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide
PubChem CID103004068
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name5-amino-2-methoxy-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide
SMILESCOc1ccc(N)cc1C(=O)NCCc1ccnn1C
InChIInChI=1S/C14H18N4O2/c1-18-11(6-8-17-18)5-7-16-14(19)12-9-10(15)3-4-13(12)20-2/h3-4,6,8-9H,5,7,15H2,1-2H3,(H,16,19)
InChIKeyQEBAYKIHIAYCTP-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

5-amino-2-methoxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 63304703
2-(2-methylpyrazol-3-yl)ethyl 5-amino-2-methoxybenzoate
CID 103013489
5-amino-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-nitrobenzamide
CID 103011164
5-amino-2-methoxy-N-(2-pyridin-4-ylethyl)benzamide
CID 61104069
2-hydroxy-5-methoxy-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide
CID 104693736
5-amino-N-[2-(2-fluorophenyl)ethyl]-2-methoxybenzamide
CID 61092730
5-amino-N-(4-hydroxybutyl)-2-methoxybenzamide
CID 106840078
5-amino-2-methoxy-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 63832003
5-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methoxybenzamide
CID 106032662
4-amino-1-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrazole-3-carboxamide
CID 103004054
2,5-dihydroxy-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide
CID 107723981
3-amino-4-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide
CID 103004037

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methoxy-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide?
The IUPAC name of 5-amino-2-methoxy-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide (CID 103004068) is 5-amino-2-methoxy-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide.
What is the SMILES notation for 5-amino-2-methoxy-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide?
The canonical SMILES for 5-amino-2-methoxy-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide is COc1ccc(N)cc1C(=O)NCCc1ccnn1C.
What is the InChIKey of 5-amino-2-methoxy-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide?
The InChIKey is QEBAYKIHIAYCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-18-11(6-8-17-18)5-7-16-14(19)12-9-10(15)3-4-13(12)20-2/h3-4,6,8-9H,5,7,15H2,1-2H3,(H,16,19).
What are the key properties of 5-amino-2-methoxy-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide?
5-amino-2-methoxy-N-[2-(2-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 5-amino-2-methoxy-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide is sourced from PubChem (CID 103004068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).