2-(3-methoxypyrazol-1-yl)-5-(trifluoromethyl)pyrazine

C9H7F3N4O — CID 141441814

IUPAC2-(3-methoxypyrazol-1-yl)-5-(trifluoromethyl)pyrazine
SMILESCOc1ccn(-c2cnc(C(F)(F)F)cn2)n1
InChIInChI=1S/C9H7F3N4O/c1-17-8-2-3-16(15-8)7-5-13-6(4-14-7)9(10,11)12/h2-5H,1H3
InChIKeySHRGYEYZWRRZLJ-UHFFFAOYSA-N
MW244.18 g/mol
LogP1.69
Rot. Bonds2

About 2-(3-methoxypyrazol-1-yl)-5-(trifluoromethyl)pyrazine

2-(3-methoxypyrazol-1-yl)-5-(trifluoromethyl)pyrazine (PubChem CID 141441814) has the molecular formula C9H7F3N4O and a molecular weight of 244.18 g/mol. Its IUPAC name is 2-(3-methoxypyrazol-1-yl)-5-(trifluoromethyl)pyrazine.

Molecular Properties

Compound Name2-(3-methoxypyrazol-1-yl)-5-(trifluoromethyl)pyrazine
PubChem CID141441814
Molecular FormulaC9H7F3N4O
Molecular Weight244.18 g/mol
Exact Mass244.06
IUPAC Name2-(3-methoxypyrazol-1-yl)-5-(trifluoromethyl)pyrazine
SMILESCOc1ccn(-c2cnc(C(F)(F)F)cn2)n1
InChIInChI=1S/C9H7F3N4O/c1-17-8-2-3-16(15-8)7-5-13-6(4-14-7)9(10,11)12/h2-5H,1H3
InChIKeySHRGYEYZWRRZLJ-UHFFFAOYSA-N
XLogP1.69
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.18
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypyrazol-1-yl)-5-(trifluoromethyl)pyrazine?
The IUPAC name of 2-(3-methoxypyrazol-1-yl)-5-(trifluoromethyl)pyrazine (CID 141441814) is 2-(3-methoxypyrazol-1-yl)-5-(trifluoromethyl)pyrazine.
What is the SMILES notation for 2-(3-methoxypyrazol-1-yl)-5-(trifluoromethyl)pyrazine?
The canonical SMILES for 2-(3-methoxypyrazol-1-yl)-5-(trifluoromethyl)pyrazine is COc1ccn(-c2cnc(C(F)(F)F)cn2)n1.
What is the InChIKey of 2-(3-methoxypyrazol-1-yl)-5-(trifluoromethyl)pyrazine?
The InChIKey is SHRGYEYZWRRZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N4O/c1-17-8-2-3-16(15-8)7-5-13-6(4-14-7)9(10,11)12/h2-5H,1H3.
What are the key properties of 2-(3-methoxypyrazol-1-yl)-5-(trifluoromethyl)pyrazine?
2-(3-methoxypyrazol-1-yl)-5-(trifluoromethyl)pyrazine has a molecular weight of 244.18 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypyrazol-1-yl)-5-(trifluoromethyl)pyrazine is sourced from PubChem (CID 141441814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).