N-[(3-ethyl-1H-pyrazol-5-yl)methyl]-2,2,2-trifluoroethanamine

C8H12F3N3 — CID 62081089

IUPACN-[(3-ethyl-1H-pyrazol-5-yl)methyl]-2,2,2-trifluoroethanamine
SMILESCCc1cc(CNCC(F)(F)F)[nH]n1
InChIInChI=1S/C8H12F3N3/c1-2-6-3-7(14-13-6)4-12-5-8(9,10)11/h3,12H,2,4-5H2,1H3,(H,13,14)
InChIKeyGGKOOANMMPJPIE-UHFFFAOYSA-N
MW207.20 g/mol
LogP1.62
Rot. Bonds4

About N-[(3-ethyl-1H-pyrazol-5-yl)methyl]-2,2,2-trifluoroethanamine

N-[(3-ethyl-1H-pyrazol-5-yl)methyl]-2,2,2-trifluoroethanamine (PubChem CID 62081089) has the molecular formula C8H12F3N3 and a molecular weight of 207.20 g/mol. Its IUPAC name is N-[(3-ethyl-1H-pyrazol-5-yl)methyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-[(3-ethyl-1H-pyrazol-5-yl)methyl]-2,2,2-trifluoroethanamine
PubChem CID62081089
Molecular FormulaC8H12F3N3
Molecular Weight207.20 g/mol
Exact Mass207.10
IUPAC NameN-[(3-ethyl-1H-pyrazol-5-yl)methyl]-2,2,2-trifluoroethanamine
SMILESCCc1cc(CNCC(F)(F)F)[nH]n1
InChIInChI=1S/C8H12F3N3/c1-2-6-3-7(14-13-6)4-12-5-8(9,10)11/h3,12H,2,4-5H2,1H3,(H,13,14)
InChIKeyGGKOOANMMPJPIE-UHFFFAOYSA-N
XLogP1.62
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1H-pyrazol-5-yl)methyl]-2,2,2-trifluoroethanamine?
The IUPAC name of N-[(3-ethyl-1H-pyrazol-5-yl)methyl]-2,2,2-trifluoroethanamine (CID 62081089) is N-[(3-ethyl-1H-pyrazol-5-yl)methyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-[(3-ethyl-1H-pyrazol-5-yl)methyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for N-[(3-ethyl-1H-pyrazol-5-yl)methyl]-2,2,2-trifluoroethanamine is CCc1cc(CNCC(F)(F)F)[nH]n1.
What is the InChIKey of N-[(3-ethyl-1H-pyrazol-5-yl)methyl]-2,2,2-trifluoroethanamine?
The InChIKey is GGKOOANMMPJPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3/c1-2-6-3-7(14-13-6)4-12-5-8(9,10)11/h3,12H,2,4-5H2,1H3,(H,13,14).
What are the key properties of N-[(3-ethyl-1H-pyrazol-5-yl)methyl]-2,2,2-trifluoroethanamine?
N-[(3-ethyl-1H-pyrazol-5-yl)methyl]-2,2,2-trifluoroethanamine has a molecular weight of 207.20 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1H-pyrazol-5-yl)methyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 62081089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).