2-[4-(4-propan-2-ylphenyl)pyrazol-1-yl]ethanamine;hydrochloride

C14H20ClN3 — CID 164608290

IUPAC2-[4-(4-propan-2-ylphenyl)pyrazol-1-yl]ethanamine;hydrochloride
SMILESCC(C)c1ccc(-c2cnn(CCN)c2)cc1.Cl
InChIInChI=1S/C14H19N3.ClH/c1-11(2)12-3-5-13(6-4-12)14-9-16-17(10-14)8-7-15;/h3-6,9-11H,7-8,15H2,1-2H3;1H
InChIKeyBAEDULVNHIYUHB-UHFFFAOYSA-N
MW265.79 g/mol
LogP3.05
Rot. Bonds4

About 2-[4-(4-propan-2-ylphenyl)pyrazol-1-yl]ethanamine;hydrochloride

2-[4-(4-propan-2-ylphenyl)pyrazol-1-yl]ethanamine;hydrochloride (PubChem CID 164608290) has the molecular formula C14H20ClN3 and a molecular weight of 265.79 g/mol. Its IUPAC name is 2-[4-(4-propan-2-ylphenyl)pyrazol-1-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-[4-(4-propan-2-ylphenyl)pyrazol-1-yl]ethanamine;hydrochloride
PubChem CID164608290
Molecular FormulaC14H20ClN3
Molecular Weight265.79 g/mol
Exact Mass265.13
IUPAC Name2-[4-(4-propan-2-ylphenyl)pyrazol-1-yl]ethanamine;hydrochloride
SMILESCC(C)c1ccc(-c2cnn(CCN)c2)cc1.Cl
InChIInChI=1S/C14H19N3.ClH/c1-11(2)12-3-5-13(6-4-12)14-9-16-17(10-14)8-7-15;/h3-6,9-11H,7-8,15H2,1-2H3;1H
InChIKeyBAEDULVNHIYUHB-UHFFFAOYSA-N
XLogP3.05
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.79
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-propan-2-ylphenyl)pyrazol-1-yl]ethanamine;hydrochloride?
The IUPAC name of 2-[4-(4-propan-2-ylphenyl)pyrazol-1-yl]ethanamine;hydrochloride (CID 164608290) is 2-[4-(4-propan-2-ylphenyl)pyrazol-1-yl]ethanamine;hydrochloride.
What is the SMILES notation for 2-[4-(4-propan-2-ylphenyl)pyrazol-1-yl]ethanamine;hydrochloride?
The canonical SMILES for 2-[4-(4-propan-2-ylphenyl)pyrazol-1-yl]ethanamine;hydrochloride is CC(C)c1ccc(-c2cnn(CCN)c2)cc1.Cl.
What is the InChIKey of 2-[4-(4-propan-2-ylphenyl)pyrazol-1-yl]ethanamine;hydrochloride?
The InChIKey is BAEDULVNHIYUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3.ClH/c1-11(2)12-3-5-13(6-4-12)14-9-16-17(10-14)8-7-15;/h3-6,9-11H,7-8,15H2,1-2H3;1H.
What are the key properties of 2-[4-(4-propan-2-ylphenyl)pyrazol-1-yl]ethanamine;hydrochloride?
2-[4-(4-propan-2-ylphenyl)pyrazol-1-yl]ethanamine;hydrochloride has a molecular weight of 265.79 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-propan-2-ylphenyl)pyrazol-1-yl]ethanamine;hydrochloride is sourced from PubChem (CID 164608290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).