2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)aniline

C13H18N4O — CID 25093236

IUPAC2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)aniline
SMILESCN(C)CCOc1cc(-c2cn[nH]c2)ccc1N
InChIInChI=1S/C13H18N4O/c1-17(2)5-6-18-13-7-10(3-4-12(13)14)11-8-15-16-9-11/h3-4,7-9H,5-6,14H2,1-2H3,(H,15,16)
InChIKeyQLQDFBOLZONHCZ-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.60
Rot. Bonds5

About 2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)aniline

2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)aniline (PubChem CID 25093236) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)aniline.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)aniline
PubChem CID25093236
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)aniline
SMILESCN(C)CCOc1cc(-c2cn[nH]c2)ccc1N
InChIInChI=1S/C13H18N4O/c1-17(2)5-6-18-13-7-10(3-4-12(13)14)11-8-15-16-9-11/h3-4,7-9H,5-6,14H2,1-2H3,(H,15,16)
InChIKeyQLQDFBOLZONHCZ-UHFFFAOYSA-N
XLogP1.60
TPSA67.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)aniline?
The IUPAC name of 2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)aniline (CID 25093236) is 2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)aniline.
What is the SMILES notation for 2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)aniline?
The canonical SMILES for 2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)aniline is CN(C)CCOc1cc(-c2cn[nH]c2)ccc1N.
What is the InChIKey of 2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)aniline?
The InChIKey is QLQDFBOLZONHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-17(2)5-6-18-13-7-10(3-4-12(13)14)11-8-15-16-9-11/h3-4,7-9H,5-6,14H2,1-2H3,(H,15,16).
What are the key properties of 2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)aniline?
2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)aniline has a molecular weight of 246.31 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)aniline is sourced from PubChem (CID 25093236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).