1-[3-[4-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]ethanamine

C10H10F3N5 — CID 167323080

IUPAC1-[3-[4-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]ethanamine
SMILESCC(N)c1nccnc1-n1cc(C(F)(F)F)cn1
InChIInChI=1S/C10H10F3N5/c1-6(14)8-9(16-3-2-15-8)18-5-7(4-17-18)10(11,12)13/h2-6H,14H2,1H3
InChIKeyOBFGYKQIJDXJTQ-UHFFFAOYSA-N
MW257.22 g/mol
LogP1.70
Rot. Bonds2

About 1-[3-[4-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]ethanamine

1-[3-[4-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]ethanamine (PubChem CID 167323080) has the molecular formula C10H10F3N5 and a molecular weight of 257.22 g/mol. Its IUPAC name is 1-[3-[4-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]ethanamine.

Molecular Properties

Compound Name1-[3-[4-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]ethanamine
PubChem CID167323080
Molecular FormulaC10H10F3N5
Molecular Weight257.22 g/mol
Exact Mass257.09
IUPAC Name1-[3-[4-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]ethanamine
SMILESCC(N)c1nccnc1-n1cc(C(F)(F)F)cn1
InChIInChI=1S/C10H10F3N5/c1-6(14)8-9(16-3-2-15-8)18-5-7(4-17-18)10(11,12)13/h2-6H,14H2,1H3
InChIKeyOBFGYKQIJDXJTQ-UHFFFAOYSA-N
XLogP1.70
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]ethanamine?
The IUPAC name of 1-[3-[4-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]ethanamine (CID 167323080) is 1-[3-[4-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]ethanamine.
What is the SMILES notation for 1-[3-[4-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]ethanamine?
The canonical SMILES for 1-[3-[4-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]ethanamine is CC(N)c1nccnc1-n1cc(C(F)(F)F)cn1.
What is the InChIKey of 1-[3-[4-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]ethanamine?
The InChIKey is OBFGYKQIJDXJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5/c1-6(14)8-9(16-3-2-15-8)18-5-7(4-17-18)10(11,12)13/h2-6H,14H2,1H3.
What are the key properties of 1-[3-[4-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]ethanamine?
1-[3-[4-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]ethanamine has a molecular weight of 257.22 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]ethanamine is sourced from PubChem (CID 167323080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).