1-(1-ethyl-3-methylpyrazol-4-yl)-2,2,2-trifluoroethanamine

C8H12F3N3 — CID 50896769

IUPAC1-(1-ethyl-3-methylpyrazol-4-yl)-2,2,2-trifluoroethanamine
SMILESCCn1cc(C(N)C(F)(F)F)c(C)n1
InChIInChI=1S/C8H12F3N3/c1-3-14-4-6(5(2)13-14)7(12)8(9,10)11/h4,7H,3,12H2,1-2H3
InChIKeyQVSNGZAYWNCCPF-UHFFFAOYSA-N
MW207.20 g/mol
LogP1.77
Rot. Bonds2

About 1-(1-ethyl-3-methylpyrazol-4-yl)-2,2,2-trifluoroethanamine

1-(1-ethyl-3-methylpyrazol-4-yl)-2,2,2-trifluoroethanamine (PubChem CID 50896769) has the molecular formula C8H12F3N3 and a molecular weight of 207.20 g/mol. Its IUPAC name is 1-(1-ethyl-3-methylpyrazol-4-yl)-2,2,2-trifluoroethanamine.

Molecular Properties

Compound Name1-(1-ethyl-3-methylpyrazol-4-yl)-2,2,2-trifluoroethanamine
PubChem CID50896769
Molecular FormulaC8H12F3N3
Molecular Weight207.20 g/mol
Exact Mass207.10
IUPAC Name1-(1-ethyl-3-methylpyrazol-4-yl)-2,2,2-trifluoroethanamine
SMILESCCn1cc(C(N)C(F)(F)F)c(C)n1
InChIInChI=1S/C8H12F3N3/c1-3-14-4-6(5(2)13-14)7(12)8(9,10)11/h4,7H,3,12H2,1-2H3
InChIKeyQVSNGZAYWNCCPF-UHFFFAOYSA-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 1-(1-ethyl-3-methylpyrazol-4-yl)-2,2,2-trifluoroethanamine?
The IUPAC name of 1-(1-ethyl-3-methylpyrazol-4-yl)-2,2,2-trifluoroethanamine (CID 50896769) is 1-(1-ethyl-3-methylpyrazol-4-yl)-2,2,2-trifluoroethanamine.
What is the SMILES notation for 1-(1-ethyl-3-methylpyrazol-4-yl)-2,2,2-trifluoroethanamine?
The canonical SMILES for 1-(1-ethyl-3-methylpyrazol-4-yl)-2,2,2-trifluoroethanamine is CCn1cc(C(N)C(F)(F)F)c(C)n1.
What is the InChIKey of 1-(1-ethyl-3-methylpyrazol-4-yl)-2,2,2-trifluoroethanamine?
The InChIKey is QVSNGZAYWNCCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3/c1-3-14-4-6(5(2)13-14)7(12)8(9,10)11/h4,7H,3,12H2,1-2H3.
What are the key properties of 1-(1-ethyl-3-methylpyrazol-4-yl)-2,2,2-trifluoroethanamine?
1-(1-ethyl-3-methylpyrazol-4-yl)-2,2,2-trifluoroethanamine 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 1-(1-ethyl-3-methylpyrazol-4-yl)-2,2,2-trifluoroethanamine is sourced from PubChem (CID 50896769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).