2,2-difluoro-3-[4-[1-(2-methoxyethyl)pyrazol-4-yl]triazol-1-yl]propan-1-ol

C11H15F2N5O2 — CID 166341695

IUPAC2,2-difluoro-3-[4-[1-(2-methoxyethyl)pyrazol-4-yl]triazol-1-yl]propan-1-ol
SMILESCOCCn1cc(-c2cn(CC(F)(F)CO)nn2)cn1
InChIInChI=1S/C11H15F2N5O2/c1-20-3-2-17-5-9(4-14-17)10-6-18(16-15-10)7-11(12,13)8-19/h4-6,19H,2-3,7-8H2,1H3
InChIKeyAABCIFYXJAKVDS-UHFFFAOYSA-N
MW287.27 g/mol
LogP0.42
Rot. Bonds7

About 2,2-difluoro-3-[4-[1-(2-methoxyethyl)pyrazol-4-yl]triazol-1-yl]propan-1-ol

2,2-difluoro-3-[4-[1-(2-methoxyethyl)pyrazol-4-yl]triazol-1-yl]propan-1-ol (PubChem CID 166341695) has the molecular formula C11H15F2N5O2 and a molecular weight of 287.27 g/mol. Its IUPAC name is 2,2-difluoro-3-[4-[1-(2-methoxyethyl)pyrazol-4-yl]triazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-[4-[1-(2-methoxyethyl)pyrazol-4-yl]triazol-1-yl]propan-1-ol
PubChem CID166341695
Molecular FormulaC11H15F2N5O2
Molecular Weight287.27 g/mol
Exact Mass287.12
IUPAC Name2,2-difluoro-3-[4-[1-(2-methoxyethyl)pyrazol-4-yl]triazol-1-yl]propan-1-ol
SMILESCOCCn1cc(-c2cn(CC(F)(F)CO)nn2)cn1
InChIInChI=1S/C11H15F2N5O2/c1-20-3-2-17-5-9(4-14-17)10-6-18(16-15-10)7-11(12,13)8-19/h4-6,19H,2-3,7-8H2,1H3
InChIKeyAABCIFYXJAKVDS-UHFFFAOYSA-N
XLogP0.42
TPSA77.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-[4-[1-(2-methoxyethyl)pyrazol-4-yl]triazol-1-yl]propan-1-ol?
The IUPAC name of 2,2-difluoro-3-[4-[1-(2-methoxyethyl)pyrazol-4-yl]triazol-1-yl]propan-1-ol (CID 166341695) is 2,2-difluoro-3-[4-[1-(2-methoxyethyl)pyrazol-4-yl]triazol-1-yl]propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-[4-[1-(2-methoxyethyl)pyrazol-4-yl]triazol-1-yl]propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-[4-[1-(2-methoxyethyl)pyrazol-4-yl]triazol-1-yl]propan-1-ol is COCCn1cc(-c2cn(CC(F)(F)CO)nn2)cn1.
What is the InChIKey of 2,2-difluoro-3-[4-[1-(2-methoxyethyl)pyrazol-4-yl]triazol-1-yl]propan-1-ol?
The InChIKey is AABCIFYXJAKVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N5O2/c1-20-3-2-17-5-9(4-14-17)10-6-18(16-15-10)7-11(12,13)8-19/h4-6,19H,2-3,7-8H2,1H3.
What are the key properties of 2,2-difluoro-3-[4-[1-(2-methoxyethyl)pyrazol-4-yl]triazol-1-yl]propan-1-ol?
2,2-difluoro-3-[4-[1-(2-methoxyethyl)pyrazol-4-yl]triazol-1-yl]propan-1-ol has a molecular weight of 287.27 g/mol, XLogP of 0.42, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-[4-[1-(2-methoxyethyl)pyrazol-4-yl]triazol-1-yl]propan-1-ol is sourced from PubChem (CID 166341695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).