2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-5-yl)aniline

C13H18N4O — CID 175592621

IUPAC2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-5-yl)aniline
SMILESCN(C)CCOc1cc(-c2ccn[nH]2)ccc1N
InChIInChI=1S/C13H18N4O/c1-17(2)7-8-18-13-9-10(3-4-11(13)14)12-5-6-15-16-12/h3-6,9H,7-8,14H2,1-2H3,(H,15,16)
InChIKeySUIQEDWDZIHGCF-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.60
Rot. Bonds5

About 2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-5-yl)aniline

2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-5-yl)aniline (PubChem CID 175592621) 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-5-yl)aniline.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-5-yl)aniline
PubChem CID175592621
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-5-yl)aniline
SMILESCN(C)CCOc1cc(-c2ccn[nH]2)ccc1N
InChIInChI=1S/C13H18N4O/c1-17(2)7-8-18-13-9-10(3-4-11(13)14)12-5-6-15-16-12/h3-6,9H,7-8,14H2,1-2H3,(H,15,16)
InChIKeySUIQEDWDZIHGCF-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'}

Analyze 2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-5-yl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxypropan-1-ol
CID 137417812
4-[3-(dimethylamino)propoxy]-2-propoxyaniline
CID 63678219
4-cyclopentyl-2-[2-(dimethylamino)ethoxy]aniline
CID 170761212
3-bromo-8-[2-(dimethylamino)ethoxy]quinolin-5-amine
CID 106949847
2-[2-(dimethylamino)ethyl]-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine
CID 159577972
2-[2-(dimethylamino)ethoxy]-5-iodoaniline
CID 66081959
5-(4-fluoro-3-methoxyphenyl)-1H-pyrazole
CID 70662601
2-[2-(dimethylamino)ethoxy]-5-(2-trimethylsilylethynyl)aniline
CID 69338150
N-(2-acetamidoethyl)-4-amino-3-[2-(dimethylamino)ethoxy]benzamide
CID 93216697
4-[4-amino-3-(2,2-dimethylpropoxy)phenyl]-2-(2,2-dimethylpropoxy)aniline
CID 139768522
4-[4-amino-3-(2-propan-2-yloxyethoxy)phenyl]-2-(2-propan-2-yloxyethoxy)aniline
CID 139768521
N-ethyl-2-methoxy-N-(2-methoxyethyl)-5-(1H-pyrazol-5-yl)benzenesulfonamide
CID 171909595

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-5-yl)aniline?
The IUPAC name of 2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-5-yl)aniline (CID 175592621) is 2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-5-yl)aniline.
What is the SMILES notation for 2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-5-yl)aniline?
The canonical SMILES for 2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-5-yl)aniline is CN(C)CCOc1cc(-c2ccn[nH]2)ccc1N.
What is the InChIKey of 2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-5-yl)aniline?
The InChIKey is SUIQEDWDZIHGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-17(2)7-8-18-13-9-10(3-4-11(13)14)12-5-6-15-16-12/h3-6,9H,7-8,14H2,1-2H3,(H,15,16).
What are the key properties of 2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-5-yl)aniline?
2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-5-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-5-yl)aniline is sourced from PubChem (CID 175592621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).