3-amino-4-ethoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide

C15H20N4O2 — CID 106103818

IUPAC3-amino-4-ethoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide
SMILESCCOc1ccc(C(=O)NCCc2ccn(C)n2)cc1N
InChIInChI=1S/C15H20N4O2/c1-3-21-14-5-4-11(10-13(14)16)15(20)17-8-6-12-7-9-19(2)18-12/h4-5,7,9-10H,3,6,8,16H2,1-2H3,(H,17,20)
InChIKeyQRIFRQQGEWESTF-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.37
Rot. Bonds6

About 3-amino-4-ethoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide

3-amino-4-ethoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide (PubChem CID 106103818) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-amino-4-ethoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-amino-4-ethoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide
PubChem CID106103818
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name3-amino-4-ethoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide
SMILESCCOc1ccc(C(=O)NCCc2ccn(C)n2)cc1N
InChIInChI=1S/C15H20N4O2/c1-3-21-14-5-4-11(10-13(14)16)15(20)17-8-6-12-7-9-19(2)18-12/h4-5,7,9-10H,3,6,8,16H2,1-2H3,(H,17,20)
InChIKeyQRIFRQQGEWESTF-UHFFFAOYSA-N
XLogP1.37
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.37
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-4-ethoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 78984283
3-amino-4-ethoxy-N-(2-hydroxyethyl)benzamide
CID 61093968
3-amino-4-ethoxy-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 82070377
3-amino-4-ethoxy-N-hexylbenzamide
CID 61112297
3-amino-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2-carboxamide
CID 106104946
4-amino-6-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-3-carboxamide
CID 106106388
4-cyano-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide
CID 104627123
N-[2-(1-methylpyrazol-3-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 106105105
3-amino-N-[2-(cyclohexen-1-yl)ethyl]-4-ethoxybenzamide
CID 61118160
2-amino-5-hydroxy-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide
CID 106103789
N-[2-(1-methylpyrazol-3-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 113434600
3-amino-4-bromo-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 82882800

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-ethoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide?
The IUPAC name of 3-amino-4-ethoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide (CID 106103818) is 3-amino-4-ethoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide.
What is the SMILES notation for 3-amino-4-ethoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide?
The canonical SMILES for 3-amino-4-ethoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide is CCOc1ccc(C(=O)NCCc2ccn(C)n2)cc1N.
What is the InChIKey of 3-amino-4-ethoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide?
The InChIKey is QRIFRQQGEWESTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-3-21-14-5-4-11(10-13(14)16)15(20)17-8-6-12-7-9-19(2)18-12/h4-5,7,9-10H,3,6,8,16H2,1-2H3,(H,17,20).
What are the key properties of 3-amino-4-ethoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide?
3-amino-4-ethoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide has a molecular weight of 288.35 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-ethoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide is sourced from PubChem (CID 106103818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).