(1R)-1-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanamine

C8H12F3N3 — CID 59544188

IUPAC(1R)-1-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanamine
SMILESCc1c([C@@H](C)N)cnn1CC(F)(F)F
InChIInChI=1S/C8H12F3N3/c1-5(12)7-3-13-14(6(7)2)4-8(9,10)11/h3,5H,4,12H2,1-2H3/t5-/m1/s1
InChIKeyUABDRIYGDCRLLY-RXMQYKEDSA-N
MW207.20 g/mol
LogP1.77
Rot. Bonds2

About (1R)-1-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanamine

(1R)-1-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanamine (PubChem CID 59544188) has the molecular formula C8H12F3N3 and a molecular weight of 207.20 g/mol. Its IUPAC name is (1R)-1-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanamine
PubChem CID59544188
Molecular FormulaC8H12F3N3
Molecular Weight207.20 g/mol
Exact Mass207.10
IUPAC Name(1R)-1-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanamine
SMILESCc1c([C@@H](C)N)cnn1CC(F)(F)F
InChIInChI=1S/C8H12F3N3/c1-5(12)7-3-13-14(6(7)2)4-8(9,10)11/h3,5H,4,12H2,1-2H3/t5-/m1/s1
InChIKeyUABDRIYGDCRLLY-RXMQYKEDSA-N
XLogP1.77
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanamine?
The IUPAC name of (1R)-1-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanamine (CID 59544188) is (1R)-1-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanamine.
What is the SMILES notation for (1R)-1-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanamine?
The canonical SMILES for (1R)-1-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanamine is Cc1c([C@@H](C)N)cnn1CC(F)(F)F.
What is the InChIKey of (1R)-1-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanamine?
The InChIKey is UABDRIYGDCRLLY-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H12F3N3/c1-5(12)7-3-13-14(6(7)2)4-8(9,10)11/h3,5H,4,12H2,1-2H3/t5-/m1/s1.
What are the key properties of (1R)-1-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanamine?
(1R)-1-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanamine has a molecular weight of 207.20 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanamine is sourced from PubChem (CID 59544188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).