2-[1-[2-(trifluoromethyl)phenyl]ethyl]pyrazol-3-amine

C12H12F3N3 — CID 16785799

IUPAC2-[1-[2-(trifluoromethyl)phenyl]ethyl]pyrazol-3-amine
SMILESCC(c1ccccc1C(F)(F)F)n1nccc1N
InChIInChI=1S/C12H12F3N3/c1-8(18-11(16)6-7-17-18)9-4-2-3-5-10(9)12(13,14)15/h2-8H,16H2,1H3
InChIKeyVIGVLWKVCFFEBS-UHFFFAOYSA-N
MW255.24 g/mol
LogP3.09
Rot. Bonds2

About 2-[1-[2-(trifluoromethyl)phenyl]ethyl]pyrazol-3-amine

2-[1-[2-(trifluoromethyl)phenyl]ethyl]pyrazol-3-amine (PubChem CID 16785799) has the molecular formula C12H12F3N3 and a molecular weight of 255.24 g/mol. Its IUPAC name is 2-[1-[2-(trifluoromethyl)phenyl]ethyl]pyrazol-3-amine.

Molecular Properties

Compound Name2-[1-[2-(trifluoromethyl)phenyl]ethyl]pyrazol-3-amine
PubChem CID16785799
Molecular FormulaC12H12F3N3
Molecular Weight255.24 g/mol
Exact Mass255.10
IUPAC Name2-[1-[2-(trifluoromethyl)phenyl]ethyl]pyrazol-3-amine
SMILESCC(c1ccccc1C(F)(F)F)n1nccc1N
InChIInChI=1S/C12H12F3N3/c1-8(18-11(16)6-7-17-18)9-4-2-3-5-10(9)12(13,14)15/h2-8H,16H2,1H3
InChIKeyVIGVLWKVCFFEBS-UHFFFAOYSA-N
XLogP3.09
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(trifluoromethyl)phenyl]ethyl]pyrazol-3-amine?
The IUPAC name of 2-[1-[2-(trifluoromethyl)phenyl]ethyl]pyrazol-3-amine (CID 16785799) is 2-[1-[2-(trifluoromethyl)phenyl]ethyl]pyrazol-3-amine.
What is the SMILES notation for 2-[1-[2-(trifluoromethyl)phenyl]ethyl]pyrazol-3-amine?
The canonical SMILES for 2-[1-[2-(trifluoromethyl)phenyl]ethyl]pyrazol-3-amine is CC(c1ccccc1C(F)(F)F)n1nccc1N.
What is the InChIKey of 2-[1-[2-(trifluoromethyl)phenyl]ethyl]pyrazol-3-amine?
The InChIKey is VIGVLWKVCFFEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3/c1-8(18-11(16)6-7-17-18)9-4-2-3-5-10(9)12(13,14)15/h2-8H,16H2,1H3.
What are the key properties of 2-[1-[2-(trifluoromethyl)phenyl]ethyl]pyrazol-3-amine?
2-[1-[2-(trifluoromethyl)phenyl]ethyl]pyrazol-3-amine has a molecular weight of 255.24 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(trifluoromethyl)phenyl]ethyl]pyrazol-3-amine is sourced from PubChem (CID 16785799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).