5-methyl-1-(1,2,2-trifluoroethyl)pyrazol-4-amine

C6H8F3N3 — CID 175533893

IUPAC5-methyl-1-(1,2,2-trifluoroethyl)pyrazol-4-amine
SMILESCc1c(N)cnn1C(F)C(F)F
InChIInChI=1S/C6H8F3N3/c1-3-4(10)2-11-12(3)6(9)5(7)8/h2,5-6H,10H2,1H3
InChIKeyBJAUIVJJRWGFKK-UHFFFAOYSA-N
MW179.15 g/mol
LogP1.51
Rot. Bonds2

About 5-methyl-1-(1,2,2-trifluoroethyl)pyrazol-4-amine

5-methyl-1-(1,2,2-trifluoroethyl)pyrazol-4-amine (PubChem CID 175533893) has the molecular formula C6H8F3N3 and a molecular weight of 179.15 g/mol. Its IUPAC name is 5-methyl-1-(1,2,2-trifluoroethyl)pyrazol-4-amine.

Molecular Properties

Compound Name5-methyl-1-(1,2,2-trifluoroethyl)pyrazol-4-amine
PubChem CID175533893
Molecular FormulaC6H8F3N3
Molecular Weight179.15 g/mol
Exact Mass179.07
IUPAC Name5-methyl-1-(1,2,2-trifluoroethyl)pyrazol-4-amine
SMILESCc1c(N)cnn1C(F)C(F)F
InChIInChI=1S/C6H8F3N3/c1-3-4(10)2-11-12(3)6(9)5(7)8/h2,5-6H,10H2,1H3
InChIKeyBJAUIVJJRWGFKK-UHFFFAOYSA-N
XLogP1.51
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 ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(1,2,2-trifluoroethyl)pyrazol-4-amine?
The IUPAC name of 5-methyl-1-(1,2,2-trifluoroethyl)pyrazol-4-amine (CID 175533893) is 5-methyl-1-(1,2,2-trifluoroethyl)pyrazol-4-amine.
What is the SMILES notation for 5-methyl-1-(1,2,2-trifluoroethyl)pyrazol-4-amine?
The canonical SMILES for 5-methyl-1-(1,2,2-trifluoroethyl)pyrazol-4-amine is Cc1c(N)cnn1C(F)C(F)F.
What is the InChIKey of 5-methyl-1-(1,2,2-trifluoroethyl)pyrazol-4-amine?
The InChIKey is BJAUIVJJRWGFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3/c1-3-4(10)2-11-12(3)6(9)5(7)8/h2,5-6H,10H2,1H3.
What are the key properties of 5-methyl-1-(1,2,2-trifluoroethyl)pyrazol-4-amine?
5-methyl-1-(1,2,2-trifluoroethyl)pyrazol-4-amine has a molecular weight of 179.15 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(1,2,2-trifluoroethyl)pyrazol-4-amine is sourced from PubChem (CID 175533893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).