1-[1-(2-methoxyethyl)-5-(trifluoromethyl)pyrazol-4-yl]-2-pyrimidin-2-ylethanol

C13H15F3N4O2 — CID 142541249

IUPAC1-[1-(2-methoxyethyl)-5-(trifluoromethyl)pyrazol-4-yl]-2-pyrimidin-2-ylethanol
SMILESCOCCn1ncc(C(O)Cc2ncccn2)c1C(F)(F)F
InChIInChI=1S/C13H15F3N4O2/c1-22-6-5-20-12(13(14,15)16)9(8-19-20)10(21)7-11-17-3-2-4-18-11/h2-4,8,10,21H,5-7H2,1H3
InChIKeyJONIDNVRNIYSBV-UHFFFAOYSA-N
MW316.28 g/mol
LogP1.61
Rot. Bonds6

About 1-[1-(2-methoxyethyl)-5-(trifluoromethyl)pyrazol-4-yl]-2-pyrimidin-2-ylethanol

1-[1-(2-methoxyethyl)-5-(trifluoromethyl)pyrazol-4-yl]-2-pyrimidin-2-ylethanol (PubChem CID 142541249) has the molecular formula C13H15F3N4O2 and a molecular weight of 316.28 g/mol. Its IUPAC name is 1-[1-(2-methoxyethyl)-5-(trifluoromethyl)pyrazol-4-yl]-2-pyrimidin-2-ylethanol.

Molecular Properties

Compound Name1-[1-(2-methoxyethyl)-5-(trifluoromethyl)pyrazol-4-yl]-2-pyrimidin-2-ylethanol
PubChem CID142541249
Molecular FormulaC13H15F3N4O2
Molecular Weight316.28 g/mol
Exact Mass316.11
IUPAC Name1-[1-(2-methoxyethyl)-5-(trifluoromethyl)pyrazol-4-yl]-2-pyrimidin-2-ylethanol
SMILESCOCCn1ncc(C(O)Cc2ncccn2)c1C(F)(F)F
InChIInChI=1S/C13H15F3N4O2/c1-22-6-5-20-12(13(14,15)16)9(8-19-20)10(21)7-11-17-3-2-4-18-11/h2-4,8,10,21H,5-7H2,1H3
InChIKeyJONIDNVRNIYSBV-UHFFFAOYSA-N
XLogP1.61
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.28
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxyethyl)-5-(trifluoromethyl)pyrazol-4-yl]-2-pyrimidin-2-ylethanol?
The IUPAC name of 1-[1-(2-methoxyethyl)-5-(trifluoromethyl)pyrazol-4-yl]-2-pyrimidin-2-ylethanol (CID 142541249) is 1-[1-(2-methoxyethyl)-5-(trifluoromethyl)pyrazol-4-yl]-2-pyrimidin-2-ylethanol.
What is the SMILES notation for 1-[1-(2-methoxyethyl)-5-(trifluoromethyl)pyrazol-4-yl]-2-pyrimidin-2-ylethanol?
The canonical SMILES for 1-[1-(2-methoxyethyl)-5-(trifluoromethyl)pyrazol-4-yl]-2-pyrimidin-2-ylethanol is COCCn1ncc(C(O)Cc2ncccn2)c1C(F)(F)F.
What is the InChIKey of 1-[1-(2-methoxyethyl)-5-(trifluoromethyl)pyrazol-4-yl]-2-pyrimidin-2-ylethanol?
The InChIKey is JONIDNVRNIYSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4O2/c1-22-6-5-20-12(13(14,15)16)9(8-19-20)10(21)7-11-17-3-2-4-18-11/h2-4,8,10,21H,5-7H2,1H3.
What are the key properties of 1-[1-(2-methoxyethyl)-5-(trifluoromethyl)pyrazol-4-yl]-2-pyrimidin-2-ylethanol?
1-[1-(2-methoxyethyl)-5-(trifluoromethyl)pyrazol-4-yl]-2-pyrimidin-2-ylethanol has a molecular weight of 316.28 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxyethyl)-5-(trifluoromethyl)pyrazol-4-yl]-2-pyrimidin-2-ylethanol is sourced from PubChem (CID 142541249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).