1,3-dimethyl-5-(trifluoromethyl)pyrazol-4-amine

C6H8F3N3 — CID 86207981

IUPAC1,3-dimethyl-5-(trifluoromethyl)pyrazol-4-amine
SMILESCc1nn(C)c(C(F)(F)F)c1N
InChIInChI=1S/C6H8F3N3/c1-3-4(10)5(6(7,8)9)12(2)11-3/h10H2,1-2H3
InChIKeyALHNHOJQWBOCSJ-UHFFFAOYSA-N
MW179.15 g/mol
LogP1.33
Rot. Bonds

About 1,3-dimethyl-5-(trifluoromethyl)pyrazol-4-amine

1,3-dimethyl-5-(trifluoromethyl)pyrazol-4-amine (PubChem CID 86207981) has the molecular formula C6H8F3N3 and a molecular weight of 179.15 g/mol. Its IUPAC name is 1,3-dimethyl-5-(trifluoromethyl)pyrazol-4-amine.

Molecular Properties

Compound Name1,3-dimethyl-5-(trifluoromethyl)pyrazol-4-amine
PubChem CID86207981
Molecular FormulaC6H8F3N3
Molecular Weight179.15 g/mol
Exact Mass179.07
IUPAC Name1,3-dimethyl-5-(trifluoromethyl)pyrazol-4-amine
SMILESCc1nn(C)c(C(F)(F)F)c1N
InChIInChI=1S/C6H8F3N3/c1-3-4(10)5(6(7,8)9)12(2)11-3/h10H2,1-2H3
InChIKeyALHNHOJQWBOCSJ-UHFFFAOYSA-N
XLogP1.33
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.15
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(trifluoromethyl)pyrazol-4-amine?
The IUPAC name of 1,3-dimethyl-5-(trifluoromethyl)pyrazol-4-amine (CID 86207981) is 1,3-dimethyl-5-(trifluoromethyl)pyrazol-4-amine.
What is the SMILES notation for 1,3-dimethyl-5-(trifluoromethyl)pyrazol-4-amine?
The canonical SMILES for 1,3-dimethyl-5-(trifluoromethyl)pyrazol-4-amine is Cc1nn(C)c(C(F)(F)F)c1N.
What is the InChIKey of 1,3-dimethyl-5-(trifluoromethyl)pyrazol-4-amine?
The InChIKey is ALHNHOJQWBOCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3/c1-3-4(10)5(6(7,8)9)12(2)11-3/h10H2,1-2H3.
What are the key properties of 1,3-dimethyl-5-(trifluoromethyl)pyrazol-4-amine?
1,3-dimethyl-5-(trifluoromethyl)pyrazol-4-amine has a molecular weight of 179.15 g/mol, XLogP of 1.33, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(trifluoromethyl)pyrazol-4-amine is sourced from PubChem (CID 86207981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).