1-[1-(2-phenoxyethyl)pyrazol-4-yl]ethanamine

C13H17N3O — CID 114265871

IUPAC1-[1-(2-phenoxyethyl)pyrazol-4-yl]ethanamine
SMILESCC(N)c1cnn(CCOc2ccccc2)c1
InChIInChI=1S/C13H17N3O/c1-11(14)12-9-15-16(10-12)7-8-17-13-5-3-2-4-6-13/h2-6,9-11H,7-8,14H2,1H3
InChIKeyBUEBAKLZBOWHLA-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.98
Rot. Bonds5

About 1-[1-(2-phenoxyethyl)pyrazol-4-yl]ethanamine

1-[1-(2-phenoxyethyl)pyrazol-4-yl]ethanamine (PubChem CID 114265871) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-[1-(2-phenoxyethyl)pyrazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(2-phenoxyethyl)pyrazol-4-yl]ethanamine
PubChem CID114265871
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name1-[1-(2-phenoxyethyl)pyrazol-4-yl]ethanamine
SMILESCC(N)c1cnn(CCOc2ccccc2)c1
InChIInChI=1S/C13H17N3O/c1-11(14)12-9-15-16(10-12)7-8-17-13-5-3-2-4-6-13/h2-6,9-11H,7-8,14H2,1H3
InChIKeyBUEBAKLZBOWHLA-UHFFFAOYSA-N
XLogP1.98
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-(2-phenoxyethyl)pyrazol-4-yl]ethanamine 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

2-[1-(2-phenoxyethyl)pyrazol-4-yl]aniline
CID 63338298
(1S)-1-[1-(3-methylbutyl)pyrazol-4-yl]ethanamine
CID 94575316
1-[4-(3-phenoxypropoxy)phenyl]ethanamine
CID 13012117
(1R)-1-[1-(3-methylbutyl)pyrazol-4-yl]ethanamine
CID 94575315
4-(3-phenoxypropoxy)-1-propan-2-ylpyrazole
CID 116805200
1-[2-(4-ethoxyphenoxy)ethyl]pyrazol-4-amine
CID 62138455
1-[2-(4-methoxyphenoxy)ethyl]pyrazol-4-amine
CID 62137352
1-[2-(2-phenoxyethoxy)ethyl]-4-phenylpyrazole
CID 86975191
N-[1-[1-[2-(4-bromophenoxy)ethyl]pyrazol-4-yl]ethyl]propan-1-amine
CID 62732152
1-[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]ethanamine
CID 103037028
1-[1-(2-methylpropyl)pyrazol-4-yl]ethanamine
CID 62729328
1-[1-(2-phenoxyethyl)triazol-4-yl]ethanol
CID 81444678

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-phenoxyethyl)pyrazol-4-yl]ethanamine?
The IUPAC name of 1-[1-(2-phenoxyethyl)pyrazol-4-yl]ethanamine (CID 114265871) is 1-[1-(2-phenoxyethyl)pyrazol-4-yl]ethanamine.
What is the SMILES notation for 1-[1-(2-phenoxyethyl)pyrazol-4-yl]ethanamine?
The canonical SMILES for 1-[1-(2-phenoxyethyl)pyrazol-4-yl]ethanamine is CC(N)c1cnn(CCOc2ccccc2)c1.
What is the InChIKey of 1-[1-(2-phenoxyethyl)pyrazol-4-yl]ethanamine?
The InChIKey is BUEBAKLZBOWHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-11(14)12-9-15-16(10-12)7-8-17-13-5-3-2-4-6-13/h2-6,9-11H,7-8,14H2,1H3.
What are the key properties of 1-[1-(2-phenoxyethyl)pyrazol-4-yl]ethanamine?
1-[1-(2-phenoxyethyl)pyrazol-4-yl]ethanamine has a molecular weight of 231.30 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-phenoxyethyl)pyrazol-4-yl]ethanamine is sourced from PubChem (CID 114265871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).