3-[4-(2-ethoxyphenyl)pyrazol-1-yl]propan-1-amine;hydrochloride

C14H20ClN3O — CID 164608406

IUPAC3-[4-(2-ethoxyphenyl)pyrazol-1-yl]propan-1-amine;hydrochloride
SMILESCCOc1ccccc1-c1cnn(CCCN)c1.Cl
InChIInChI=1S/C14H19N3O.ClH/c1-2-18-14-7-4-3-6-13(14)12-10-16-17(11-12)9-5-8-15;/h3-4,6-7,10-11H,2,5,8-9,15H2,1H3;1H
InChIKeyAPMUVIFICLVTQW-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.72
Rot. Bonds6

About 3-[4-(2-ethoxyphenyl)pyrazol-1-yl]propan-1-amine;hydrochloride

3-[4-(2-ethoxyphenyl)pyrazol-1-yl]propan-1-amine;hydrochloride (PubChem CID 164608406) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 3-[4-(2-ethoxyphenyl)pyrazol-1-yl]propan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-[4-(2-ethoxyphenyl)pyrazol-1-yl]propan-1-amine;hydrochloride
PubChem CID164608406
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name3-[4-(2-ethoxyphenyl)pyrazol-1-yl]propan-1-amine;hydrochloride
SMILESCCOc1ccccc1-c1cnn(CCCN)c1.Cl
InChIInChI=1S/C14H19N3O.ClH/c1-2-18-14-7-4-3-6-13(14)12-10-16-17(11-12)9-5-8-15;/h3-4,6-7,10-11H,2,5,8-9,15H2,1H3;1H
InChIKeyAPMUVIFICLVTQW-UHFFFAOYSA-N
XLogP2.72
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[4-(2-ethoxyphenyl)pyrazol-1-yl]propan-1-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

Related Compounds

3-[4-[2-(2-methylpropoxy)phenyl]pyrazol-1-yl]propan-1-amine;hydrochloride
CID 164608410
3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]pyrazol-1-yl]propan-1-amine
CID 164608415
3-(4-phenylpyrazol-1-yl)propan-1-amine;hydrochloride
CID 164608398
2-[4-(3-ethoxyphenyl)pyrazol-1-yl]ethanamine;hydrochloride
CID 164607150
3-[4-[2-(trifluoromethyl)phenyl]pyrazol-1-yl]propan-1-amine
CID 164608391
3-[4-(5-chloro-2-methoxyphenyl)pyrazol-1-yl]propan-1-amine
CID 94277704
3-[5-(2-ethoxyphenyl)tetrazol-1-yl]propan-1-amine
CID 115534182
3-[4-(4-propan-2-yloxyphenyl)pyrazol-1-yl]propan-1-amine
CID 164608378
1-ethoxy-2-[4-(4-phenylphenyl)phenyl]benzene
CID 151505413
3-[4-(furan-2-yl)pyrazol-1-yl]propan-1-amine
CID 121214021
2-[4-[2-[(2-methoxyphenyl)methoxy]phenyl]pyrazol-1-yl]ethanol
CID 72908195
2-[1-(3-ethylsulfanylpropyl)pyrazol-4-yl]aniline
CID 113473561

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-ethoxyphenyl)pyrazol-1-yl]propan-1-amine;hydrochloride?
The IUPAC name of 3-[4-(2-ethoxyphenyl)pyrazol-1-yl]propan-1-amine;hydrochloride (CID 164608406) is 3-[4-(2-ethoxyphenyl)pyrazol-1-yl]propan-1-amine;hydrochloride.
What is the SMILES notation for 3-[4-(2-ethoxyphenyl)pyrazol-1-yl]propan-1-amine;hydrochloride?
The canonical SMILES for 3-[4-(2-ethoxyphenyl)pyrazol-1-yl]propan-1-amine;hydrochloride is CCOc1ccccc1-c1cnn(CCCN)c1.Cl.
What is the InChIKey of 3-[4-(2-ethoxyphenyl)pyrazol-1-yl]propan-1-amine;hydrochloride?
The InChIKey is APMUVIFICLVTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O.ClH/c1-2-18-14-7-4-3-6-13(14)12-10-16-17(11-12)9-5-8-15;/h3-4,6-7,10-11H,2,5,8-9,15H2,1H3;1H.
What are the key properties of 3-[4-(2-ethoxyphenyl)pyrazol-1-yl]propan-1-amine;hydrochloride?
3-[4-(2-ethoxyphenyl)pyrazol-1-yl]propan-1-amine;hydrochloride has a molecular weight of 281.79 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-ethoxyphenyl)pyrazol-1-yl]propan-1-amine;hydrochloride is sourced from PubChem (CID 164608406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).