[6-[3-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]methanol

C9H7F3N4O — CID 66465935

IUPAC[6-[3-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]methanol
SMILESOCc1cncc(-n2ccc(C(F)(F)F)n2)n1
InChIInChI=1S/C9H7F3N4O/c10-9(11,12)7-1-2-16(15-7)8-4-13-3-6(5-17)14-8/h1-4,17H,5H2
InChIKeyDQZZSBWHKRTQND-UHFFFAOYSA-N
MW244.18 g/mol
LogP1.17
Rot. Bonds2

About [6-[3-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]methanol

[6-[3-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]methanol (PubChem CID 66465935) has the molecular formula C9H7F3N4O and a molecular weight of 244.18 g/mol. Its IUPAC name is [6-[3-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]methanol.

Molecular Properties

Compound Name[6-[3-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]methanol
PubChem CID66465935
Molecular FormulaC9H7F3N4O
Molecular Weight244.18 g/mol
Exact Mass244.06
IUPAC Name[6-[3-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]methanol
SMILESOCc1cncc(-n2ccc(C(F)(F)F)n2)n1
InChIInChI=1S/C9H7F3N4O/c10-9(11,12)7-1-2-16(15-7)8-4-13-3-6(5-17)14-8/h1-4,17H,5H2
InChIKeyDQZZSBWHKRTQND-UHFFFAOYSA-N
XLogP1.17
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.18
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-[3-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]methanol?
The IUPAC name of [6-[3-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]methanol (CID 66465935) is [6-[3-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]methanol.
What is the SMILES notation for [6-[3-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]methanol?
The canonical SMILES for [6-[3-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]methanol is OCc1cncc(-n2ccc(C(F)(F)F)n2)n1.
What is the InChIKey of [6-[3-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]methanol?
The InChIKey is DQZZSBWHKRTQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N4O/c10-9(11,12)7-1-2-16(15-7)8-4-13-3-6(5-17)14-8/h1-4,17H,5H2.
What are the key properties of [6-[3-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]methanol?
[6-[3-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]methanol has a molecular weight of 244.18 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[3-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]methanol is sourced from PubChem (CID 66465935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).