5-methyl-1-(2,2,3,3-tetrafluoropropyl)pyrazol-3-amine

C7H9F4N3 — CID 19622836

IUPAC5-methyl-1-(2,2,3,3-tetrafluoropropyl)pyrazol-3-amine
SMILESCc1cc(N)nn1CC(F)(F)C(F)F
InChIInChI=1S/C7H9F4N3/c1-4-2-5(12)13-14(4)3-7(10,11)6(8)9/h2,6H,3H2,1H3,(H2,12,13)
InChIKeyAIJJTFGGOAFQIM-UHFFFAOYSA-N
MW211.16 g/mol
LogP1.67
Rot. Bonds3

About 5-methyl-1-(2,2,3,3-tetrafluoropropyl)pyrazol-3-amine

5-methyl-1-(2,2,3,3-tetrafluoropropyl)pyrazol-3-amine (PubChem CID 19622836) has the molecular formula C7H9F4N3 and a molecular weight of 211.16 g/mol. Its IUPAC name is 5-methyl-1-(2,2,3,3-tetrafluoropropyl)pyrazol-3-amine.

Molecular Properties

Compound Name5-methyl-1-(2,2,3,3-tetrafluoropropyl)pyrazol-3-amine
PubChem CID19622836
Molecular FormulaC7H9F4N3
Molecular Weight211.16 g/mol
Exact Mass211.07
IUPAC Name5-methyl-1-(2,2,3,3-tetrafluoropropyl)pyrazol-3-amine
SMILESCc1cc(N)nn1CC(F)(F)C(F)F
InChIInChI=1S/C7H9F4N3/c1-4-2-5(12)13-14(4)3-7(10,11)6(8)9/h2,6H,3H2,1H3,(H2,12,13)
InChIKeyAIJJTFGGOAFQIM-UHFFFAOYSA-N
XLogP1.67
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.16
LogP ≤ 51.67
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 5-methyl-1-(2,2,3,3-tetrafluoropropyl)pyrazol-3-amine?
The IUPAC name of 5-methyl-1-(2,2,3,3-tetrafluoropropyl)pyrazol-3-amine (CID 19622836) is 5-methyl-1-(2,2,3,3-tetrafluoropropyl)pyrazol-3-amine.
What is the SMILES notation for 5-methyl-1-(2,2,3,3-tetrafluoropropyl)pyrazol-3-amine?
The canonical SMILES for 5-methyl-1-(2,2,3,3-tetrafluoropropyl)pyrazol-3-amine is Cc1cc(N)nn1CC(F)(F)C(F)F.
What is the InChIKey of 5-methyl-1-(2,2,3,3-tetrafluoropropyl)pyrazol-3-amine?
The InChIKey is AIJJTFGGOAFQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F4N3/c1-4-2-5(12)13-14(4)3-7(10,11)6(8)9/h2,6H,3H2,1H3,(H2,12,13).
What are the key properties of 5-methyl-1-(2,2,3,3-tetrafluoropropyl)pyrazol-3-amine?
5-methyl-1-(2,2,3,3-tetrafluoropropyl)pyrazol-3-amine has a molecular weight of 211.16 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2,2,3,3-tetrafluoropropyl)pyrazol-3-amine is sourced from PubChem (CID 19622836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).