1-(4,4,4-trifluorobutyl)pyrazol-4-amine

C7H10F3N3 — CID 97178850

IUPAC1-(4,4,4-trifluorobutyl)pyrazol-4-amine
SMILESNc1cnn(CCCC(F)(F)F)c1
InChIInChI=1S/C7H10F3N3/c8-7(9,10)2-1-3-13-5-6(11)4-12-13/h4-5H,1-3,11H2
InChIKeyHODDUWAJBIMQCS-UHFFFAOYSA-N
MW193.17 g/mol
LogP1.81
Rot. Bonds3

About 1-(4,4,4-trifluorobutyl)pyrazol-4-amine

1-(4,4,4-trifluorobutyl)pyrazol-4-amine (PubChem CID 97178850) has the molecular formula C7H10F3N3 and a molecular weight of 193.17 g/mol. Its IUPAC name is 1-(4,4,4-trifluorobutyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(4,4,4-trifluorobutyl)pyrazol-4-amine
PubChem CID97178850
Molecular FormulaC7H10F3N3
Molecular Weight193.17 g/mol
Exact Mass193.08
IUPAC Name1-(4,4,4-trifluorobutyl)pyrazol-4-amine
SMILESNc1cnn(CCCC(F)(F)F)c1
InChIInChI=1S/C7H10F3N3/c8-7(9,10)2-1-3-13-5-6(11)4-12-13/h4-5H,1-3,11H2
InChIKeyHODDUWAJBIMQCS-UHFFFAOYSA-N
XLogP1.81
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4,4-trifluorobutyl)pyrazol-4-amine?
The IUPAC name of 1-(4,4,4-trifluorobutyl)pyrazol-4-amine (CID 97178850) is 1-(4,4,4-trifluorobutyl)pyrazol-4-amine.
What is the SMILES notation for 1-(4,4,4-trifluorobutyl)pyrazol-4-amine?
The canonical SMILES for 1-(4,4,4-trifluorobutyl)pyrazol-4-amine is Nc1cnn(CCCC(F)(F)F)c1.
What is the InChIKey of 1-(4,4,4-trifluorobutyl)pyrazol-4-amine?
The InChIKey is HODDUWAJBIMQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3/c8-7(9,10)2-1-3-13-5-6(11)4-12-13/h4-5H,1-3,11H2.
What are the key properties of 1-(4,4,4-trifluorobutyl)pyrazol-4-amine?
1-(4,4,4-trifluorobutyl)pyrazol-4-amine has a molecular weight of 193.17 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4,4-trifluorobutyl)pyrazol-4-amine is sourced from PubChem (CID 97178850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).