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

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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).