1-methyl-N-(3,3,3-trifluoropropyl)pyrazol-3-amine

C7H10F3N3 — CID 79778959

IUPAC1-methyl-N-(3,3,3-trifluoropropyl)pyrazol-3-amine
SMILESCn1ccc(NCCC(F)(F)F)n1
InChIInChI=1S/C7H10F3N3/c1-13-5-2-6(12-13)11-4-3-7(8,9)10/h2,5H,3-4H2,1H3,(H,11,12)
InChIKeyZIIYAUONQGKDCN-UHFFFAOYSA-N
MW193.17 g/mol
LogP1.78
Rot. Bonds3

About 1-methyl-N-(3,3,3-trifluoropropyl)pyrazol-3-amine

1-methyl-N-(3,3,3-trifluoropropyl)pyrazol-3-amine (PubChem CID 79778959) has the molecular formula C7H10F3N3 and a molecular weight of 193.17 g/mol. Its IUPAC name is 1-methyl-N-(3,3,3-trifluoropropyl)pyrazol-3-amine.

Molecular Properties

Compound Name1-methyl-N-(3,3,3-trifluoropropyl)pyrazol-3-amine
PubChem CID79778959
Molecular FormulaC7H10F3N3
Molecular Weight193.17 g/mol
Exact Mass193.08
IUPAC Name1-methyl-N-(3,3,3-trifluoropropyl)pyrazol-3-amine
SMILESCn1ccc(NCCC(F)(F)F)n1
InChIInChI=1S/C7H10F3N3/c1-13-5-2-6(12-13)11-4-3-7(8,9)10/h2,5H,3-4H2,1H3,(H,11,12)
InChIKeyZIIYAUONQGKDCN-UHFFFAOYSA-N
XLogP1.78
TPSA29.85 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 ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(3,3,3-trifluoropropyl)pyrazol-3-amine?
The IUPAC name of 1-methyl-N-(3,3,3-trifluoropropyl)pyrazol-3-amine (CID 79778959) is 1-methyl-N-(3,3,3-trifluoropropyl)pyrazol-3-amine.
What is the SMILES notation for 1-methyl-N-(3,3,3-trifluoropropyl)pyrazol-3-amine?
The canonical SMILES for 1-methyl-N-(3,3,3-trifluoropropyl)pyrazol-3-amine is Cn1ccc(NCCC(F)(F)F)n1.
What is the InChIKey of 1-methyl-N-(3,3,3-trifluoropropyl)pyrazol-3-amine?
The InChIKey is ZIIYAUONQGKDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3/c1-13-5-2-6(12-13)11-4-3-7(8,9)10/h2,5H,3-4H2,1H3,(H,11,12).
What are the key properties of 1-methyl-N-(3,3,3-trifluoropropyl)pyrazol-3-amine?
1-methyl-N-(3,3,3-trifluoropropyl)pyrazol-3-amine has a molecular weight of 193.17 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(3,3,3-trifluoropropyl)pyrazol-3-amine is sourced from PubChem (CID 79778959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).