5-(2-ethoxyphenyl)-1H-pyrazol-3-amine;hydrochloride

C11H14ClN3O — CID 46736418

IUPAC5-(2-ethoxyphenyl)-1H-pyrazol-3-amine;hydrochloride
SMILESCCOc1ccccc1-c1cc(N)n[nH]1.Cl
InChIInChI=1S/C11H13N3O.ClH/c1-2-15-10-6-4-3-5-8(10)9-7-11(12)14-13-9;/h3-7H,2H2,1H3,(H3,12,13,14);1H
InChIKeyLGBADKNIDXHXRO-UHFFFAOYSA-N
MW239.71 g/mol
LogP2.48
Rot. Bonds3

About 5-(2-ethoxyphenyl)-1H-pyrazol-3-amine;hydrochloride

5-(2-ethoxyphenyl)-1H-pyrazol-3-amine;hydrochloride (PubChem CID 46736418) has the molecular formula C11H14ClN3O and a molecular weight of 239.71 g/mol. Its IUPAC name is 5-(2-ethoxyphenyl)-1H-pyrazol-3-amine;hydrochloride.

Molecular Properties

Compound Name5-(2-ethoxyphenyl)-1H-pyrazol-3-amine;hydrochloride
PubChem CID46736418
Molecular FormulaC11H14ClN3O
Molecular Weight239.71 g/mol
Exact Mass239.08
IUPAC Name5-(2-ethoxyphenyl)-1H-pyrazol-3-amine;hydrochloride
SMILESCCOc1ccccc1-c1cc(N)n[nH]1.Cl
InChIInChI=1S/C11H13N3O.ClH/c1-2-15-10-6-4-3-5-8(10)9-7-11(12)14-13-9;/h3-7H,2H2,1H3,(H3,12,13,14);1H
InChIKeyLGBADKNIDXHXRO-UHFFFAOYSA-N
XLogP2.48
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(2-ethoxyphenyl)-1H-pyrazol-3-amine;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethoxyphenyl)-1H-pyrazol-3-amine;hydrochloride?
The IUPAC name of 5-(2-ethoxyphenyl)-1H-pyrazol-3-amine;hydrochloride (CID 46736418) is 5-(2-ethoxyphenyl)-1H-pyrazol-3-amine;hydrochloride.
What is the SMILES notation for 5-(2-ethoxyphenyl)-1H-pyrazol-3-amine;hydrochloride?
The canonical SMILES for 5-(2-ethoxyphenyl)-1H-pyrazol-3-amine;hydrochloride is CCOc1ccccc1-c1cc(N)n[nH]1.Cl.
What is the InChIKey of 5-(2-ethoxyphenyl)-1H-pyrazol-3-amine;hydrochloride?
The InChIKey is LGBADKNIDXHXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O.ClH/c1-2-15-10-6-4-3-5-8(10)9-7-11(12)14-13-9;/h3-7H,2H2,1H3,(H3,12,13,14);1H.
What are the key properties of 5-(2-ethoxyphenyl)-1H-pyrazol-3-amine;hydrochloride?
5-(2-ethoxyphenyl)-1H-pyrazol-3-amine;hydrochloride has a molecular weight of 239.71 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxyphenyl)-1H-pyrazol-3-amine;hydrochloride is sourced from PubChem (CID 46736418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).