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

C15H20N4O2 — CID 78984283

IUPAC3-amino-4-ethoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
SMILESCCOc1ccc(C(=O)NCCc2cnn(C)c2)cc1N
InChIInChI=1S/C15H20N4O2/c1-3-21-14-5-4-12(8-13(14)16)15(20)17-7-6-11-9-18-19(2)10-11/h4-5,8-10H,3,6-7,16H2,1-2H3,(H,17,20)
InChIKeyPLMZGHTTZRADQS-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.37
Rot. Bonds6

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

3-amino-4-ethoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide (PubChem CID 78984283) 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-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-amino-4-ethoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
PubChem CID78984283
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name3-amino-4-ethoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
SMILESCCOc1ccc(C(=O)NCCc2cnn(C)c2)cc1N
InChIInChI=1S/C15H20N4O2/c1-3-21-14-5-4-12(8-13(14)16)15(20)17-7-6-11-9-18-19(2)10-11/h4-5,8-10H,3,6-7,16H2,1-2H3,(H,17,20)
InChIKeyPLMZGHTTZRADQS-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-3-yl)ethyl]benzamide
CID 106103818
3-amino-4-ethoxy-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 82070377
3-amino-4-ethoxy-N-(2-hydroxyethyl)benzamide
CID 61093968
4-hydroxy-3-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 103951812
3-chloro-4-hydroxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 47291440
4-(ethylamino)-3-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 80690560
4-(2-amino-2-oxoethoxy)-3-methoxy-N-[3-(1-methylpyrazol-4-yl)propyl]benzamide
CID 119108564
3-amino-4-ethoxy-N-hexylbenzamide
CID 61112297
3-[4-(aminomethyl)-2-fluorophenoxy]-4-methoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide;hydrochloride
CID 154922832
3-amino-N-[2-(cyclohexen-1-yl)ethyl]-4-ethoxybenzamide
CID 61118160
2-amino-6-methoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 81420546
3-[(Z)-N'-hydroxycarbamimidoyl]-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 78982638

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-ethoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide?
The IUPAC name of 3-amino-4-ethoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide (CID 78984283) is 3-amino-4-ethoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 3-amino-4-ethoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide?
The canonical SMILES for 3-amino-4-ethoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide is CCOc1ccc(C(=O)NCCc2cnn(C)c2)cc1N.
What is the InChIKey of 3-amino-4-ethoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide?
The InChIKey is PLMZGHTTZRADQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-3-21-14-5-4-12(8-13(14)16)15(20)17-7-6-11-9-18-19(2)10-11/h4-5,8-10H,3,6-7,16H2,1-2H3,(H,17,20).
What are the key properties of 3-amino-4-ethoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide?
3-amino-4-ethoxy-N-[2-(1-methylpyrazol-4-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-4-yl)ethyl]benzamide is sourced from PubChem (CID 78984283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).