2-[1-(2-chloro-6-methoxypyrimidin-4-yl)pyrazol-4-yl]ethanol

C10H11ClN4O2 — CID 167172361

IUPAC2-[1-(2-chloro-6-methoxypyrimidin-4-yl)pyrazol-4-yl]ethanol
SMILESCOc1cc(-n2cc(CCO)cn2)nc(Cl)n1
InChIInChI=1S/C10H11ClN4O2/c1-17-9-4-8(13-10(11)14-9)15-6-7(2-3-16)5-12-15/h4-6,16H,2-3H2,1H3
InChIKeyQRFAVTINHWHJLP-UHFFFAOYSA-N
MW254.68 g/mol
LogP0.86
Rot. Bonds4

About 2-[1-(2-chloro-6-methoxypyrimidin-4-yl)pyrazol-4-yl]ethanol

2-[1-(2-chloro-6-methoxypyrimidin-4-yl)pyrazol-4-yl]ethanol (PubChem CID 167172361) has the molecular formula C10H11ClN4O2 and a molecular weight of 254.68 g/mol. Its IUPAC name is 2-[1-(2-chloro-6-methoxypyrimidin-4-yl)pyrazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-(2-chloro-6-methoxypyrimidin-4-yl)pyrazol-4-yl]ethanol
PubChem CID167172361
Molecular FormulaC10H11ClN4O2
Molecular Weight254.68 g/mol
Exact Mass254.06
IUPAC Name2-[1-(2-chloro-6-methoxypyrimidin-4-yl)pyrazol-4-yl]ethanol
SMILESCOc1cc(-n2cc(CCO)cn2)nc(Cl)n1
InChIInChI=1S/C10H11ClN4O2/c1-17-9-4-8(13-10(11)14-9)15-6-7(2-3-16)5-12-15/h4-6,16H,2-3H2,1H3
InChIKeyQRFAVTINHWHJLP-UHFFFAOYSA-N
XLogP0.86
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.68
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chloro-6-methoxypyrimidin-4-yl)pyrazol-4-yl]ethanol?
The IUPAC name of 2-[1-(2-chloro-6-methoxypyrimidin-4-yl)pyrazol-4-yl]ethanol (CID 167172361) is 2-[1-(2-chloro-6-methoxypyrimidin-4-yl)pyrazol-4-yl]ethanol.
What is the SMILES notation for 2-[1-(2-chloro-6-methoxypyrimidin-4-yl)pyrazol-4-yl]ethanol?
The canonical SMILES for 2-[1-(2-chloro-6-methoxypyrimidin-4-yl)pyrazol-4-yl]ethanol is COc1cc(-n2cc(CCO)cn2)nc(Cl)n1.
What is the InChIKey of 2-[1-(2-chloro-6-methoxypyrimidin-4-yl)pyrazol-4-yl]ethanol?
The InChIKey is QRFAVTINHWHJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O2/c1-17-9-4-8(13-10(11)14-9)15-6-7(2-3-16)5-12-15/h4-6,16H,2-3H2,1H3.
What are the key properties of 2-[1-(2-chloro-6-methoxypyrimidin-4-yl)pyrazol-4-yl]ethanol?
2-[1-(2-chloro-6-methoxypyrimidin-4-yl)pyrazol-4-yl]ethanol has a molecular weight of 254.68 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chloro-6-methoxypyrimidin-4-yl)pyrazol-4-yl]ethanol is sourced from PubChem (CID 167172361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).