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

C12H12F3N3 — CID 164608301

IUPAC2-[4-[2-(trifluoromethyl)phenyl]pyrazol-1-yl]ethanamine
SMILESNCCn1cc(-c2ccccc2C(F)(F)F)cn1
InChIInChI=1S/C12H12F3N3/c13-12(14,15)11-4-2-1-3-10(11)9-7-17-18(8-9)6-5-16/h1-4,7-8H,5-6,16H2
InChIKeyGONOILNCRWRJFN-UHFFFAOYSA-N
MW255.24 g/mol
LogP2.53
Rot. Bonds3

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

2-[4-[2-(trifluoromethyl)phenyl]pyrazol-1-yl]ethanamine (PubChem CID 164608301) has the molecular formula C12H12F3N3 and a molecular weight of 255.24 g/mol. Its IUPAC name is 2-[4-[2-(trifluoromethyl)phenyl]pyrazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-[2-(trifluoromethyl)phenyl]pyrazol-1-yl]ethanamine
PubChem CID164608301
Molecular FormulaC12H12F3N3
Molecular Weight255.24 g/mol
Exact Mass255.10
IUPAC Name2-[4-[2-(trifluoromethyl)phenyl]pyrazol-1-yl]ethanamine
SMILESNCCn1cc(-c2ccccc2C(F)(F)F)cn1
InChIInChI=1S/C12H12F3N3/c13-12(14,15)11-4-2-1-3-10(11)9-7-17-18(8-9)6-5-16/h1-4,7-8H,5-6,16H2
InChIKeyGONOILNCRWRJFN-UHFFFAOYSA-N
XLogP2.53
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(trifluoromethyl)phenyl]pyrazol-1-yl]ethanamine?
The IUPAC name of 2-[4-[2-(trifluoromethyl)phenyl]pyrazol-1-yl]ethanamine (CID 164608301) is 2-[4-[2-(trifluoromethyl)phenyl]pyrazol-1-yl]ethanamine.
What is the SMILES notation for 2-[4-[2-(trifluoromethyl)phenyl]pyrazol-1-yl]ethanamine?
The canonical SMILES for 2-[4-[2-(trifluoromethyl)phenyl]pyrazol-1-yl]ethanamine is NCCn1cc(-c2ccccc2C(F)(F)F)cn1.
What is the InChIKey of 2-[4-[2-(trifluoromethyl)phenyl]pyrazol-1-yl]ethanamine?
The InChIKey is GONOILNCRWRJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3/c13-12(14,15)11-4-2-1-3-10(11)9-7-17-18(8-9)6-5-16/h1-4,7-8H,5-6,16H2.
What are the key properties of 2-[4-[2-(trifluoromethyl)phenyl]pyrazol-1-yl]ethanamine?
2-[4-[2-(trifluoromethyl)phenyl]pyrazol-1-yl]ethanamine has a molecular weight of 255.24 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(trifluoromethyl)phenyl]pyrazol-1-yl]ethanamine is sourced from PubChem (CID 164608301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).