2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanamine

C7H10F3N3 — CID 16640649

IUPAC2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanamine
SMILESCc1cc(C(F)(F)F)nn1CCN
InChIInChI=1S/C7H10F3N3/c1-5-4-6(7(8,9)10)12-13(5)3-2-11/h4H,2-3,11H2,1H3
InChIKeySHUCOXQGYVIPDK-UHFFFAOYSA-N
MW193.17 g/mol
LogP1.17
Rot. Bonds2

About 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanamine

2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanamine (PubChem CID 16640649) has the molecular formula C7H10F3N3 and a molecular weight of 193.17 g/mol. Its IUPAC name is 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanamine
PubChem CID16640649
Molecular FormulaC7H10F3N3
Molecular Weight193.17 g/mol
Exact Mass193.08
IUPAC Name2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanamine
SMILESCc1cc(C(F)(F)F)nn1CCN
InChIInChI=1S/C7H10F3N3/c1-5-4-6(7(8,9)10)12-13(5)3-2-11/h4H,2-3,11H2,1H3
InChIKeySHUCOXQGYVIPDK-UHFFFAOYSA-N
XLogP1.17
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanamine?
The IUPAC name of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanamine (CID 16640649) is 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanamine.
What is the SMILES notation for 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanamine?
The canonical SMILES for 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanamine is Cc1cc(C(F)(F)F)nn1CCN.
What is the InChIKey of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanamine?
The InChIKey is SHUCOXQGYVIPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3/c1-5-4-6(7(8,9)10)12-13(5)3-2-11/h4H,2-3,11H2,1H3.
What are the key properties of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanamine?
2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanamine has a molecular weight of 193.17 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanamine is sourced from PubChem (CID 16640649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).