5-amino-2-[(1-butan-2-ylpyrazol-3-yl)methoxy]benzamide

C15H20N4O2 — CID 106956243

IUPAC5-amino-2-[(1-butan-2-ylpyrazol-3-yl)methoxy]benzamide
SMILESCCC(C)n1ccc(COc2ccc(N)cc2C(N)=O)n1
InChIInChI=1S/C15H20N4O2/c1-3-10(2)19-7-6-12(18-19)9-21-14-5-4-11(16)8-13(14)15(17)20/h4-8,10H,3,9,16H2,1-2H3,(H2,17,20)
InChIKeyQNYSKUOLOBIYOH-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.11
Rot. Bonds6

About 5-amino-2-[(1-butan-2-ylpyrazol-3-yl)methoxy]benzamide

5-amino-2-[(1-butan-2-ylpyrazol-3-yl)methoxy]benzamide (PubChem CID 106956243) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 5-amino-2-[(1-butan-2-ylpyrazol-3-yl)methoxy]benzamide.

Molecular Properties

Compound Name5-amino-2-[(1-butan-2-ylpyrazol-3-yl)methoxy]benzamide
PubChem CID106956243
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name5-amino-2-[(1-butan-2-ylpyrazol-3-yl)methoxy]benzamide
SMILESCCC(C)n1ccc(COc2ccc(N)cc2C(N)=O)n1
InChIInChI=1S/C15H20N4O2/c1-3-10(2)19-7-6-12(18-19)9-21-14-5-4-11(16)8-13(14)15(17)20/h4-8,10H,3,9,16H2,1-2H3,(H2,17,20)
InChIKeyQNYSKUOLOBIYOH-UHFFFAOYSA-N
XLogP2.11
TPSA96.16 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 ≤ 52.11
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

(1-butan-2-ylpyrazol-3-yl)methyl 3-aminobenzoate
CID 64777071
[4-[(1-butan-2-ylpyrazol-3-yl)methoxy]-3-methoxyphenyl]methanamine
CID 64801160
1-(4-aminophenyl)-3-(1-butan-2-ylpyrazol-3-yl)propan-2-one
CID 116549421
3-[(1-butan-2-ylpyrazol-3-yl)methoxy]-2-methylphenol
CID 64783416
5-amino-2-(2-methoxypropoxy)benzamide
CID 106956252
1-[3-[(1-butan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanone
CID 64801500
5-amino-2-(2-methylpentoxy)benzamide
CID 103284499
5-amino-2-butoxybenzamide
CID 61305277
5-amino-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzamide
CID 106956246
(E)-4-(4-aminophenyl)-1-(1-butan-2-ylpyrazol-3-yl)but-3-en-2-one
CID 116605642
5-amino-2-[2-oxo-2-(pentan-3-ylamino)ethoxy]benzamide
CID 106956198
(1-propan-2-ylpyrazol-3-yl)methyl 5-amino-2-fluorobenzoate
CID 64772472

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(1-butan-2-ylpyrazol-3-yl)methoxy]benzamide?
The IUPAC name of 5-amino-2-[(1-butan-2-ylpyrazol-3-yl)methoxy]benzamide (CID 106956243) is 5-amino-2-[(1-butan-2-ylpyrazol-3-yl)methoxy]benzamide.
What is the SMILES notation for 5-amino-2-[(1-butan-2-ylpyrazol-3-yl)methoxy]benzamide?
The canonical SMILES for 5-amino-2-[(1-butan-2-ylpyrazol-3-yl)methoxy]benzamide is CCC(C)n1ccc(COc2ccc(N)cc2C(N)=O)n1.
What is the InChIKey of 5-amino-2-[(1-butan-2-ylpyrazol-3-yl)methoxy]benzamide?
The InChIKey is QNYSKUOLOBIYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-3-10(2)19-7-6-12(18-19)9-21-14-5-4-11(16)8-13(14)15(17)20/h4-8,10H,3,9,16H2,1-2H3,(H2,17,20).
What are the key properties of 5-amino-2-[(1-butan-2-ylpyrazol-3-yl)methoxy]benzamide?
5-amino-2-[(1-butan-2-ylpyrazol-3-yl)methoxy]benzamide has a molecular weight of 288.35 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(1-butan-2-ylpyrazol-3-yl)methoxy]benzamide is sourced from PubChem (CID 106956243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).