1-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]ethanamine;hydrochloride

C8H13ClF3N3 — CID 135377882

IUPAC1-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]ethanamine;hydrochloride
SMILESCC(N)c1cnn(CCC(F)(F)F)c1.Cl
InChIInChI=1S/C8H12F3N3.ClH/c1-6(12)7-4-13-14(5-7)3-2-8(9,10)11;/h4-6H,2-3,12H2,1H3;1H
InChIKeySIDDSTQSUZBFFD-UHFFFAOYSA-N
MW243.66 g/mol
LogP2.28
Rot. Bonds3

About 1-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]ethanamine;hydrochloride

1-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]ethanamine;hydrochloride (PubChem CID 135377882) has the molecular formula C8H13ClF3N3 and a molecular weight of 243.66 g/mol. Its IUPAC name is 1-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name1-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]ethanamine;hydrochloride
PubChem CID135377882
Molecular FormulaC8H13ClF3N3
Molecular Weight243.66 g/mol
Exact Mass243.08
IUPAC Name1-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]ethanamine;hydrochloride
SMILESCC(N)c1cnn(CCC(F)(F)F)c1.Cl
InChIInChI=1S/C8H12F3N3.ClH/c1-6(12)7-4-13-14(5-7)3-2-8(9,10)11;/h4-6H,2-3,12H2,1H3;1H
InChIKeySIDDSTQSUZBFFD-UHFFFAOYSA-N
XLogP2.28
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.66
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]ethanamine;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

1-[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]ethanamine
CID 103037028
(1R)-1-[1-(3-methylbutyl)pyrazol-4-yl]ethanamine
CID 94575315
(1S)-1-[1-(3-methylbutyl)pyrazol-4-yl]ethanamine
CID 94575316
1-[1-(2-methylpropyl)pyrazol-4-yl]ethanamine
CID 62729328
N-methyl-1-[1-(4,4,4-trifluorobutyl)pyrazol-4-yl]ethanamine
CID 115518233
[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methanol
CID 64565126
1-[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrazol-4-yl]ethanamine
CID 103014913
1-[1-(2-phenoxyethyl)pyrazol-4-yl]ethanamine
CID 114265871
4-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]aniline
CID 64554836
(1-propylpyrazol-4-yl)-[4-(trifluoromethyl)phenyl]methanamine
CID 115807748
1-[1-(4,4,4-trifluorobutyl)pyrazol-4-yl]butan-2-amine
CID 113327318
(1R)-1-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]ethanamine
CID 94575350

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]ethanamine;hydrochloride?
The IUPAC name of 1-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]ethanamine;hydrochloride (CID 135377882) is 1-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]ethanamine;hydrochloride.
What is the SMILES notation for 1-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]ethanamine;hydrochloride?
The canonical SMILES for 1-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]ethanamine;hydrochloride is CC(N)c1cnn(CCC(F)(F)F)c1.Cl.
What is the InChIKey of 1-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]ethanamine;hydrochloride?
The InChIKey is SIDDSTQSUZBFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3.ClH/c1-6(12)7-4-13-14(5-7)3-2-8(9,10)11;/h4-6H,2-3,12H2,1H3;1H.
What are the key properties of 1-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]ethanamine;hydrochloride?
1-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]ethanamine;hydrochloride has a molecular weight of 243.66 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]ethanamine;hydrochloride is sourced from PubChem (CID 135377882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).