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

C8H12F3N3 — CID 64566976

IUPAC1-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]ethanamine
SMILESCC(N)c1cnn(CCC(F)(F)F)c1
InChIInChI=1S/C8H12F3N3/c1-6(12)7-4-13-14(5-7)3-2-8(9,10)11/h4-6H,2-3,12H2,1H3
InChIKeyJAHQGBNDZWLGON-UHFFFAOYSA-N
MW207.20 g/mol
LogP1.86
Rot. Bonds3

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

1-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]ethanamine (PubChem CID 64566976) has the molecular formula C8H12F3N3 and a molecular weight of 207.20 g/mol. Its IUPAC name is 1-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]ethanamine
PubChem CID64566976
Molecular FormulaC8H12F3N3
Molecular Weight207.20 g/mol
Exact Mass207.10
IUPAC Name1-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]ethanamine
SMILESCC(N)c1cnn(CCC(F)(F)F)c1
InChIInChI=1S/C8H12F3N3/c1-6(12)7-4-13-14(5-7)3-2-8(9,10)11/h4-6H,2-3,12H2,1H3
InChIKeyJAHQGBNDZWLGON-UHFFFAOYSA-N
XLogP1.86
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-(pyrrolidin-2-yl)-1H-pyrazole
CID 25248267
1-(1-methyl-1H-pyrazol-4-yl)ethane-1,2-diamine
CID 43519509
(1-methyl-5-(trifluoromethyl)-1H-pyrazol-4-yl)methanamine
CID 59818031
(1-ethyl-3-methyl-1H-pyrazol-4-yl)methylamine
CID 578961
ethyl[(1-ethyl-1H-pyrazol-4-yl)methyl]amine
CID 16394860
1-[1-(2-methoxyethyl)-1H-pyrazol-4-yl]ethan-1-amine
CID 62729330
3-(4-methyl-1H-pyrazol-1-yl)propan-1-amine
CID 4715092
1-(1-methyl-1H-pyrazol-4-yl)ethan-1-amine
CID 23005782
methyl(1-(1-methyl-1H-pyrazol-4-yl)ethyl)amine
CID 23005793
alpha-Ethyl-1-methyl-1H-pyrazole-4-methanamine
CID 23005813
2-(1-Methyl-1H-pyrazol-4-yl)ethan-1-amine
CID 23005857
2,2,2-trifluoro-1-(1-methyl-1H-pyrazol-4-yl)ethan-1-amine
CID 43124155

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]ethanamine?
The IUPAC name of 1-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]ethanamine (CID 64566976) is 1-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]ethanamine.
What is the SMILES notation for 1-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]ethanamine?
The canonical SMILES for 1-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]ethanamine is CC(N)c1cnn(CCC(F)(F)F)c1.
What is the InChIKey of 1-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]ethanamine?
The InChIKey is JAHQGBNDZWLGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3/c1-6(12)7-4-13-14(5-7)3-2-8(9,10)11/h4-6H,2-3,12H2,1H3.
What are the key properties of 1-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]ethanamine?
1-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]ethanamine has a molecular weight of 207.20 g/mol, XLogP of 1.86, 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 is sourced from PubChem (CID 64566976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).