2-[1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]pyrazine

C14H9F3N4O — CID 24730430

IUPAC2-[1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]pyrazine
SMILESFC(F)(F)Oc1ccc(-n2cc(-c3cnccn3)cn2)cc1
InChIInChI=1S/C14H9F3N4O/c15-14(16,17)22-12-3-1-11(2-4-12)21-9-10(7-20-21)13-8-18-5-6-19-13/h1-9H
InChIKeyDRLKEEBPNFVMPF-UHFFFAOYSA-N
MW306.25 g/mol
LogP3.23
Rot. Bonds3

About 2-[1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]pyrazine

2-[1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]pyrazine (PubChem CID 24730430) has the molecular formula C14H9F3N4O and a molecular weight of 306.25 g/mol. Its IUPAC name is 2-[1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]pyrazine.

Molecular Properties

Compound Name2-[1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]pyrazine
PubChem CID24730430
Molecular FormulaC14H9F3N4O
Molecular Weight306.25 g/mol
Exact Mass306.07
IUPAC Name2-[1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]pyrazine
SMILESFC(F)(F)Oc1ccc(-n2cc(-c3cnccn3)cn2)cc1
InChIInChI=1S/C14H9F3N4O/c15-14(16,17)22-12-3-1-11(2-4-12)21-9-10(7-20-21)13-8-18-5-6-19-13/h1-9H
InChIKeyDRLKEEBPNFVMPF-UHFFFAOYSA-N
XLogP3.23
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.25
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]pyrazine?
The IUPAC name of 2-[1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]pyrazine (CID 24730430) is 2-[1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]pyrazine.
What is the SMILES notation for 2-[1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]pyrazine?
The canonical SMILES for 2-[1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]pyrazine is FC(F)(F)Oc1ccc(-n2cc(-c3cnccn3)cn2)cc1.
What is the InChIKey of 2-[1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]pyrazine?
The InChIKey is DRLKEEBPNFVMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N4O/c15-14(16,17)22-12-3-1-11(2-4-12)21-9-10(7-20-21)13-8-18-5-6-19-13/h1-9H.
What are the key properties of 2-[1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]pyrazine?
2-[1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]pyrazine has a molecular weight of 306.25 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]pyrazine is sourced from PubChem (CID 24730430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).