3-amino-2-ethoxy-N-(5-propyl-1H-pyrazol-3-yl)benzamide

C15H20N4O2 — CID 104616145

IUPAC3-amino-2-ethoxy-N-(5-propyl-1H-pyrazol-3-yl)benzamide
SMILESCCCc1cc(NC(=O)c2cccc(N)c2OCC)n[nH]1
InChIInChI=1S/C15H20N4O2/c1-3-6-10-9-13(19-18-10)17-15(20)11-7-5-8-12(16)14(11)21-4-2/h5,7-9H,3-4,6,16H2,1-2H3,(H2,17,18,19,20)
InChIKeyUHMYGFNITKSFAW-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.60
Rot. Bonds6

About 3-amino-2-ethoxy-N-(5-propyl-1H-pyrazol-3-yl)benzamide

3-amino-2-ethoxy-N-(5-propyl-1H-pyrazol-3-yl)benzamide (PubChem CID 104616145) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-amino-2-ethoxy-N-(5-propyl-1H-pyrazol-3-yl)benzamide.

Molecular Properties

Compound Name3-amino-2-ethoxy-N-(5-propyl-1H-pyrazol-3-yl)benzamide
PubChem CID104616145
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name3-amino-2-ethoxy-N-(5-propyl-1H-pyrazol-3-yl)benzamide
SMILESCCCc1cc(NC(=O)c2cccc(N)c2OCC)n[nH]1
InChIInChI=1S/C15H20N4O2/c1-3-6-10-9-13(19-18-10)17-15(20)11-7-5-8-12(16)14(11)21-4-2/h5,7-9H,3-4,6,16H2,1-2H3,(H2,17,18,19,20)
InChIKeyUHMYGFNITKSFAW-UHFFFAOYSA-N
XLogP2.60
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-2-bromo-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 104616231
2-amino-3-methoxy-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 104616207
2-bromo-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 113233987
2-iodo-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 113233988
3-amino-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyrazole-5-carboxamide
CID 104616226
4-amino-3-methoxy-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 104783240
3-amino-2-ethoxy-N-(4-ethyl-1H-pyrazol-5-yl)benzamide
CID 104616592
4-amino-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
CID 104616213
2-(3-aminophenoxy)-N-(5-propyl-1H-pyrazol-3-yl)acetamide
CID 104616215
5-amino-2,3-dichloro-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 107185838
4-fluoro-2-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 112702658
4-hydroxy-2-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 103865483

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-ethoxy-N-(5-propyl-1H-pyrazol-3-yl)benzamide?
The IUPAC name of 3-amino-2-ethoxy-N-(5-propyl-1H-pyrazol-3-yl)benzamide (CID 104616145) is 3-amino-2-ethoxy-N-(5-propyl-1H-pyrazol-3-yl)benzamide.
What is the SMILES notation for 3-amino-2-ethoxy-N-(5-propyl-1H-pyrazol-3-yl)benzamide?
The canonical SMILES for 3-amino-2-ethoxy-N-(5-propyl-1H-pyrazol-3-yl)benzamide is CCCc1cc(NC(=O)c2cccc(N)c2OCC)n[nH]1.
What is the InChIKey of 3-amino-2-ethoxy-N-(5-propyl-1H-pyrazol-3-yl)benzamide?
The InChIKey is UHMYGFNITKSFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-3-6-10-9-13(19-18-10)17-15(20)11-7-5-8-12(16)14(11)21-4-2/h5,7-9H,3-4,6,16H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 3-amino-2-ethoxy-N-(5-propyl-1H-pyrazol-3-yl)benzamide?
3-amino-2-ethoxy-N-(5-propyl-1H-pyrazol-3-yl)benzamide has a molecular weight of 288.35 g/mol, XLogP of 2.60, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-ethoxy-N-(5-propyl-1H-pyrazol-3-yl)benzamide is sourced from PubChem (CID 104616145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).