1-methyl-N-(2,2,2-trifluoroethyl)pyrazol-3-amine

C6H8F3N3 — CID 79778362

IUPAC1-methyl-N-(2,2,2-trifluoroethyl)pyrazol-3-amine
SMILESCn1ccc(NCC(F)(F)F)n1
InChIInChI=1S/C6H8F3N3/c1-12-3-2-5(11-12)10-4-6(7,8)9/h2-3H,4H2,1H3,(H,10,11)
InChIKeyQXXLBNTWCKETQU-UHFFFAOYSA-N
MW179.15 g/mol
LogP1.39
Rot. Bonds2

About 1-methyl-N-(2,2,2-trifluoroethyl)pyrazol-3-amine

1-methyl-N-(2,2,2-trifluoroethyl)pyrazol-3-amine (PubChem CID 79778362) has the molecular formula C6H8F3N3 and a molecular weight of 179.15 g/mol. Its IUPAC name is 1-methyl-N-(2,2,2-trifluoroethyl)pyrazol-3-amine.

Molecular Properties

Compound Name1-methyl-N-(2,2,2-trifluoroethyl)pyrazol-3-amine
PubChem CID79778362
Molecular FormulaC6H8F3N3
Molecular Weight179.15 g/mol
Exact Mass179.07
IUPAC Name1-methyl-N-(2,2,2-trifluoroethyl)pyrazol-3-amine
SMILESCn1ccc(NCC(F)(F)F)n1
InChIInChI=1S/C6H8F3N3/c1-12-3-2-5(11-12)10-4-6(7,8)9/h2-3H,4H2,1H3,(H,10,11)
InChIKeyQXXLBNTWCKETQU-UHFFFAOYSA-N
XLogP1.39
TPSA29.85 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 ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2,2,2-trifluoroethyl)pyrazol-3-amine?
The IUPAC name of 1-methyl-N-(2,2,2-trifluoroethyl)pyrazol-3-amine (CID 79778362) is 1-methyl-N-(2,2,2-trifluoroethyl)pyrazol-3-amine.
What is the SMILES notation for 1-methyl-N-(2,2,2-trifluoroethyl)pyrazol-3-amine?
The canonical SMILES for 1-methyl-N-(2,2,2-trifluoroethyl)pyrazol-3-amine is Cn1ccc(NCC(F)(F)F)n1.
What is the InChIKey of 1-methyl-N-(2,2,2-trifluoroethyl)pyrazol-3-amine?
The InChIKey is QXXLBNTWCKETQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3/c1-12-3-2-5(11-12)10-4-6(7,8)9/h2-3H,4H2,1H3,(H,10,11).
What are the key properties of 1-methyl-N-(2,2,2-trifluoroethyl)pyrazol-3-amine?
1-methyl-N-(2,2,2-trifluoroethyl)pyrazol-3-amine has a molecular weight of 179.15 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2,2,2-trifluoroethyl)pyrazol-3-amine is sourced from PubChem (CID 79778362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).