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

C9H7F3N4 — CID 174731373

IUPAC2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrazine
SMILESCc1cc(C(F)(F)F)nn1-c1cnccn1
InChIInChI=1S/C9H7F3N4/c1-6-4-7(9(10,11)12)15-16(6)8-5-13-2-3-14-8/h2-5H,1H3
InChIKeyKEZJZCZPWIQDGC-UHFFFAOYSA-N
MW228.18 g/mol
LogP1.99
Rot. Bonds1

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

2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrazine (PubChem CID 174731373) has the molecular formula C9H7F3N4 and a molecular weight of 228.18 g/mol. Its IUPAC name is 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrazine.

Molecular Properties

Compound Name2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrazine
PubChem CID174731373
Molecular FormulaC9H7F3N4
Molecular Weight228.18 g/mol
Exact Mass228.06
IUPAC Name2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrazine
SMILESCc1cc(C(F)(F)F)nn1-c1cnccn1
InChIInChI=1S/C9H7F3N4/c1-6-4-7(9(10,11)12)15-16(6)8-5-13-2-3-14-8/h2-5H,1H3
InChIKeyKEZJZCZPWIQDGC-UHFFFAOYSA-N
XLogP1.99
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.18
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrazine?
The IUPAC name of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrazine (CID 174731373) is 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrazine.
What is the SMILES notation for 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrazine?
The canonical SMILES for 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrazine is Cc1cc(C(F)(F)F)nn1-c1cnccn1.
What is the InChIKey of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrazine?
The InChIKey is KEZJZCZPWIQDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N4/c1-6-4-7(9(10,11)12)15-16(6)8-5-13-2-3-14-8/h2-5H,1H3.
What are the key properties of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrazine?
2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrazine has a molecular weight of 228.18 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrazine is sourced from PubChem (CID 174731373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).