1-(3,3,3-trifluoropropyl)pyrazol-4-amine

C6H8F3N3 — CID 50896552

IUPAC1-(3,3,3-trifluoropropyl)pyrazol-4-amine
SMILESNc1cnn(CCC(F)(F)F)c1
InChIInChI=1S/C6H8F3N3/c7-6(8,9)1-2-12-4-5(10)3-11-12/h3-4H,1-2,10H2
InChIKeyMCIZNEVUACPAGG-UHFFFAOYSA-N
MW179.15 g/mol
LogP1.42
Rot. Bonds2

About 1-(3,3,3-trifluoropropyl)pyrazol-4-amine

1-(3,3,3-trifluoropropyl)pyrazol-4-amine (PubChem CID 50896552) has the molecular formula C6H8F3N3 and a molecular weight of 179.15 g/mol. Its IUPAC name is 1-(3,3,3-trifluoropropyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(3,3,3-trifluoropropyl)pyrazol-4-amine
PubChem CID50896552
Molecular FormulaC6H8F3N3
Molecular Weight179.15 g/mol
Exact Mass179.07
IUPAC Name1-(3,3,3-trifluoropropyl)pyrazol-4-amine
SMILESNc1cnn(CCC(F)(F)F)c1
InChIInChI=1S/C6H8F3N3/c7-6(8,9)1-2-12-4-5(10)3-11-12/h3-4H,1-2,10H2
InChIKeyMCIZNEVUACPAGG-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 1-(3,3,3-trifluoropropyl)pyrazol-4-amine?
The IUPAC name of 1-(3,3,3-trifluoropropyl)pyrazol-4-amine (CID 50896552) is 1-(3,3,3-trifluoropropyl)pyrazol-4-amine.
What is the SMILES notation for 1-(3,3,3-trifluoropropyl)pyrazol-4-amine?
The canonical SMILES for 1-(3,3,3-trifluoropropyl)pyrazol-4-amine is Nc1cnn(CCC(F)(F)F)c1.
What is the InChIKey of 1-(3,3,3-trifluoropropyl)pyrazol-4-amine?
The InChIKey is MCIZNEVUACPAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3/c7-6(8,9)1-2-12-4-5(10)3-11-12/h3-4H,1-2,10H2.
What are the key properties of 1-(3,3,3-trifluoropropyl)pyrazol-4-amine?
1-(3,3,3-trifluoropropyl)pyrazol-4-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 1-(3,3,3-trifluoropropyl)pyrazol-4-amine is sourced from PubChem (CID 50896552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).