1-(2,2,3,3-tetrafluoropropyl)pyrazol-4-amine

C6H7F4N3 — CID 19622841

IUPAC1-(2,2,3,3-tetrafluoropropyl)pyrazol-4-amine
SMILESNc1cnn(CC(F)(F)C(F)F)c1
InChIInChI=1S/C6H7F4N3/c7-5(8)6(9,10)3-13-2-4(11)1-12-13/h1-2,5H,3,11H2
InChIKeyRYNRCWDAJQKWAM-UHFFFAOYSA-N
MW197.14 g/mol
LogP1.37
Rot. Bonds3

About 1-(2,2,3,3-tetrafluoropropyl)pyrazol-4-amine

1-(2,2,3,3-tetrafluoropropyl)pyrazol-4-amine (PubChem CID 19622841) has the molecular formula C6H7F4N3 and a molecular weight of 197.14 g/mol. Its IUPAC name is 1-(2,2,3,3-tetrafluoropropyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(2,2,3,3-tetrafluoropropyl)pyrazol-4-amine
PubChem CID19622841
Molecular FormulaC6H7F4N3
Molecular Weight197.14 g/mol
Exact Mass197.06
IUPAC Name1-(2,2,3,3-tetrafluoropropyl)pyrazol-4-amine
SMILESNc1cnn(CC(F)(F)C(F)F)c1
InChIInChI=1S/C6H7F4N3/c7-5(8)6(9,10)3-13-2-4(11)1-12-13/h1-2,5H,3,11H2
InChIKeyRYNRCWDAJQKWAM-UHFFFAOYSA-N
XLogP1.37
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.14
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,3,3-tetrafluoropropyl)pyrazol-4-amine?
The IUPAC name of 1-(2,2,3,3-tetrafluoropropyl)pyrazol-4-amine (CID 19622841) is 1-(2,2,3,3-tetrafluoropropyl)pyrazol-4-amine.
What is the SMILES notation for 1-(2,2,3,3-tetrafluoropropyl)pyrazol-4-amine?
The canonical SMILES for 1-(2,2,3,3-tetrafluoropropyl)pyrazol-4-amine is Nc1cnn(CC(F)(F)C(F)F)c1.
What is the InChIKey of 1-(2,2,3,3-tetrafluoropropyl)pyrazol-4-amine?
The InChIKey is RYNRCWDAJQKWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F4N3/c7-5(8)6(9,10)3-13-2-4(11)1-12-13/h1-2,5H,3,11H2.
What are the key properties of 1-(2,2,3,3-tetrafluoropropyl)pyrazol-4-amine?
1-(2,2,3,3-tetrafluoropropyl)pyrazol-4-amine has a molecular weight of 197.14 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,3,3-tetrafluoropropyl)pyrazol-4-amine is sourced from PubChem (CID 19622841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).