2-(3,3,3-trifluoropropyl)pyrazol-3-amine

C6H8F3N3 — CID 50896542

IUPAC2-(3,3,3-trifluoropropyl)pyrazol-3-amine
SMILESNc1ccnn1CCC(F)(F)F
InChIInChI=1S/C6H8F3N3/c7-6(8,9)2-4-12-5(10)1-3-11-12/h1,3H,2,4,10H2
InChIKeyOZXDXRWOBIASPL-UHFFFAOYSA-N
MW179.15 g/mol
LogP1.42
Rot. Bonds2

About 2-(3,3,3-trifluoropropyl)pyrazol-3-amine

2-(3,3,3-trifluoropropyl)pyrazol-3-amine (PubChem CID 50896542) has the molecular formula C6H8F3N3 and a molecular weight of 179.15 g/mol. Its IUPAC name is 2-(3,3,3-trifluoropropyl)pyrazol-3-amine.

Molecular Properties

Compound Name2-(3,3,3-trifluoropropyl)pyrazol-3-amine
PubChem CID50896542
Molecular FormulaC6H8F3N3
Molecular Weight179.15 g/mol
Exact Mass179.07
IUPAC Name2-(3,3,3-trifluoropropyl)pyrazol-3-amine
SMILESNc1ccnn1CCC(F)(F)F
InChIInChI=1S/C6H8F3N3/c7-6(8,9)2-4-12-5(10)1-3-11-12/h1,3H,2,4,10H2
InChIKeyOZXDXRWOBIASPL-UHFFFAOYSA-N
XLogP1.42
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.15
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3,3-trifluoropropyl)pyrazol-3-amine?
The IUPAC name of 2-(3,3,3-trifluoropropyl)pyrazol-3-amine (CID 50896542) is 2-(3,3,3-trifluoropropyl)pyrazol-3-amine.
What is the SMILES notation for 2-(3,3,3-trifluoropropyl)pyrazol-3-amine?
The canonical SMILES for 2-(3,3,3-trifluoropropyl)pyrazol-3-amine is Nc1ccnn1CCC(F)(F)F.
What is the InChIKey of 2-(3,3,3-trifluoropropyl)pyrazol-3-amine?
The InChIKey is OZXDXRWOBIASPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3/c7-6(8,9)2-4-12-5(10)1-3-11-12/h1,3H,2,4,10H2.
What are the key properties of 2-(3,3,3-trifluoropropyl)pyrazol-3-amine?
2-(3,3,3-trifluoropropyl)pyrazol-3-amine has a molecular weight of 179.15 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3,3-trifluoropropyl)pyrazol-3-amine is sourced from PubChem (CID 50896542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).