1-[3-(4-chloropyrazol-1-yl)pyrazin-2-yl]ethanol

C9H9ClN4O — CID 167322980

IUPAC1-[3-(4-chloropyrazol-1-yl)pyrazin-2-yl]ethanol
SMILESCC(O)c1nccnc1-n1cc(Cl)cn1
InChIInChI=1S/C9H9ClN4O/c1-6(15)8-9(12-3-2-11-8)14-5-7(10)4-13-14/h2-6,15H,1H3
InChIKeyIZQQSAXJGPNQQA-UHFFFAOYSA-N
MW224.65 g/mol
LogP1.37
Rot. Bonds2

About 1-[3-(4-chloropyrazol-1-yl)pyrazin-2-yl]ethanol

1-[3-(4-chloropyrazol-1-yl)pyrazin-2-yl]ethanol (PubChem CID 167322980) has the molecular formula C9H9ClN4O and a molecular weight of 224.65 g/mol. Its IUPAC name is 1-[3-(4-chloropyrazol-1-yl)pyrazin-2-yl]ethanol.

Molecular Properties

Compound Name1-[3-(4-chloropyrazol-1-yl)pyrazin-2-yl]ethanol
PubChem CID167322980
Molecular FormulaC9H9ClN4O
Molecular Weight224.65 g/mol
Exact Mass224.05
IUPAC Name1-[3-(4-chloropyrazol-1-yl)pyrazin-2-yl]ethanol
SMILESCC(O)c1nccnc1-n1cc(Cl)cn1
InChIInChI=1S/C9H9ClN4O/c1-6(15)8-9(12-3-2-11-8)14-5-7(10)4-13-14/h2-6,15H,1H3
InChIKeyIZQQSAXJGPNQQA-UHFFFAOYSA-N
XLogP1.37
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.65
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chloropyrazol-1-yl)pyrazin-2-yl]ethanol?
The IUPAC name of 1-[3-(4-chloropyrazol-1-yl)pyrazin-2-yl]ethanol (CID 167322980) is 1-[3-(4-chloropyrazol-1-yl)pyrazin-2-yl]ethanol.
What is the SMILES notation for 1-[3-(4-chloropyrazol-1-yl)pyrazin-2-yl]ethanol?
The canonical SMILES for 1-[3-(4-chloropyrazol-1-yl)pyrazin-2-yl]ethanol is CC(O)c1nccnc1-n1cc(Cl)cn1.
What is the InChIKey of 1-[3-(4-chloropyrazol-1-yl)pyrazin-2-yl]ethanol?
The InChIKey is IZQQSAXJGPNQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4O/c1-6(15)8-9(12-3-2-11-8)14-5-7(10)4-13-14/h2-6,15H,1H3.
What are the key properties of 1-[3-(4-chloropyrazol-1-yl)pyrazin-2-yl]ethanol?
1-[3-(4-chloropyrazol-1-yl)pyrazin-2-yl]ethanol has a molecular weight of 224.65 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chloropyrazol-1-yl)pyrazin-2-yl]ethanol is sourced from PubChem (CID 167322980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).