3-[4-[2-(trifluoromethyl)phenyl]pyrazol-1-yl]propan-1-amine

C13H14F3N3 — CID 164608391

IUPAC3-[4-[2-(trifluoromethyl)phenyl]pyrazol-1-yl]propan-1-amine
SMILESNCCCn1cc(-c2ccccc2C(F)(F)F)cn1
InChIInChI=1S/C13H14F3N3/c14-13(15,16)12-5-2-1-4-11(12)10-8-18-19(9-10)7-3-6-17/h1-2,4-5,8-9H,3,6-7,17H2
InChIKeyABZZUQNBGCGXRD-UHFFFAOYSA-N
MW269.27 g/mol
LogP2.92
Rot. Bonds4

About 3-[4-[2-(trifluoromethyl)phenyl]pyrazol-1-yl]propan-1-amine

3-[4-[2-(trifluoromethyl)phenyl]pyrazol-1-yl]propan-1-amine (PubChem CID 164608391) has the molecular formula C13H14F3N3 and a molecular weight of 269.27 g/mol. Its IUPAC name is 3-[4-[2-(trifluoromethyl)phenyl]pyrazol-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[4-[2-(trifluoromethyl)phenyl]pyrazol-1-yl]propan-1-amine
PubChem CID164608391
Molecular FormulaC13H14F3N3
Molecular Weight269.27 g/mol
Exact Mass269.11
IUPAC Name3-[4-[2-(trifluoromethyl)phenyl]pyrazol-1-yl]propan-1-amine
SMILESNCCCn1cc(-c2ccccc2C(F)(F)F)cn1
InChIInChI=1S/C13H14F3N3/c14-13(15,16)12-5-2-1-4-11(12)10-8-18-19(9-10)7-3-6-17/h1-2,4-5,8-9H,3,6-7,17H2
InChIKeyABZZUQNBGCGXRD-UHFFFAOYSA-N
XLogP2.92
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(trifluoromethyl)phenyl]pyrazol-1-yl]propan-1-amine?
The IUPAC name of 3-[4-[2-(trifluoromethyl)phenyl]pyrazol-1-yl]propan-1-amine (CID 164608391) is 3-[4-[2-(trifluoromethyl)phenyl]pyrazol-1-yl]propan-1-amine.
What is the SMILES notation for 3-[4-[2-(trifluoromethyl)phenyl]pyrazol-1-yl]propan-1-amine?
The canonical SMILES for 3-[4-[2-(trifluoromethyl)phenyl]pyrazol-1-yl]propan-1-amine is NCCCn1cc(-c2ccccc2C(F)(F)F)cn1.
What is the InChIKey of 3-[4-[2-(trifluoromethyl)phenyl]pyrazol-1-yl]propan-1-amine?
The InChIKey is ABZZUQNBGCGXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3/c14-13(15,16)12-5-2-1-4-11(12)10-8-18-19(9-10)7-3-6-17/h1-2,4-5,8-9H,3,6-7,17H2.
What are the key properties of 3-[4-[2-(trifluoromethyl)phenyl]pyrazol-1-yl]propan-1-amine?
3-[4-[2-(trifluoromethyl)phenyl]pyrazol-1-yl]propan-1-amine has a molecular weight of 269.27 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(trifluoromethyl)phenyl]pyrazol-1-yl]propan-1-amine is sourced from PubChem (CID 164608391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).