1-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]ethanamine

C9H14F3N3 — CID 105477117

IUPAC1-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]ethanamine
SMILESCC(N)c1cnn(C(C)C)c1C(F)(F)F
InChIInChI=1S/C9H14F3N3/c1-5(2)15-8(9(10,11)12)7(4-14-15)6(3)13/h4-6H,13H2,1-3H3
InChIKeyRGLYOBYWLGONQA-UHFFFAOYSA-N
MW221.23 g/mol
LogP2.50
Rot. Bonds2

About 1-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]ethanamine

1-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]ethanamine (PubChem CID 105477117) has the molecular formula C9H14F3N3 and a molecular weight of 221.23 g/mol. Its IUPAC name is 1-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]ethanamine
PubChem CID105477117
Molecular FormulaC9H14F3N3
Molecular Weight221.23 g/mol
Exact Mass221.11
IUPAC Name1-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]ethanamine
SMILESCC(N)c1cnn(C(C)C)c1C(F)(F)F
InChIInChI=1S/C9H14F3N3/c1-5(2)15-8(9(10,11)12)7(4-14-15)6(3)13/h4-6H,13H2,1-3H3
InChIKeyRGLYOBYWLGONQA-UHFFFAOYSA-N
XLogP2.50
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]ethanamine?
The IUPAC name of 1-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]ethanamine (CID 105477117) is 1-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]ethanamine.
What is the SMILES notation for 1-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]ethanamine?
The canonical SMILES for 1-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]ethanamine is CC(N)c1cnn(C(C)C)c1C(F)(F)F.
What is the InChIKey of 1-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]ethanamine?
The InChIKey is RGLYOBYWLGONQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3/c1-5(2)15-8(9(10,11)12)7(4-14-15)6(3)13/h4-6H,13H2,1-3H3.
What are the key properties of 1-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]ethanamine?
1-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]ethanamine has a molecular weight of 221.23 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]ethanamine is sourced from PubChem (CID 105477117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).