2-(2,4-difluorophenyl)-1-(4-ethyltriazol-1-yl)-3-pyrazol-1-ylpropan-2-ol

C16H17F2N5O — CID 135208992

IUPAC2-(2,4-difluorophenyl)-1-(4-ethyltriazol-1-yl)-3-pyrazol-1-ylpropan-2-ol
SMILESCCc1cn(CC(O)(Cn2cccn2)c2ccc(F)cc2F)nn1
InChIInChI=1S/C16H17F2N5O/c1-2-13-9-23(21-20-13)11-16(24,10-22-7-3-6-19-22)14-5-4-12(17)8-15(14)18/h3-9,24H,2,10-11H2,1H3
InChIKeyTVLCGSCHTZVIKD-UHFFFAOYSA-N
MW333.34 g/mol
LogP1.90
Rot. Bonds6

About 2-(2,4-difluorophenyl)-1-(4-ethyltriazol-1-yl)-3-pyrazol-1-ylpropan-2-ol

2-(2,4-difluorophenyl)-1-(4-ethyltriazol-1-yl)-3-pyrazol-1-ylpropan-2-ol (PubChem CID 135208992) has the molecular formula C16H17F2N5O and a molecular weight of 333.34 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-1-(4-ethyltriazol-1-yl)-3-pyrazol-1-ylpropan-2-ol.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-1-(4-ethyltriazol-1-yl)-3-pyrazol-1-ylpropan-2-ol
PubChem CID135208992
Molecular FormulaC16H17F2N5O
Molecular Weight333.34 g/mol
Exact Mass333.14
IUPAC Name2-(2,4-difluorophenyl)-1-(4-ethyltriazol-1-yl)-3-pyrazol-1-ylpropan-2-ol
SMILESCCc1cn(CC(O)(Cn2cccn2)c2ccc(F)cc2F)nn1
InChIInChI=1S/C16H17F2N5O/c1-2-13-9-23(21-20-13)11-16(24,10-22-7-3-6-19-22)14-5-4-12(17)8-15(14)18/h3-9,24H,2,10-11H2,1H3
InChIKeyTVLCGSCHTZVIKD-UHFFFAOYSA-N
XLogP1.90
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-1-(4-ethyltriazol-1-yl)-3-pyrazol-1-ylpropan-2-ol?
The IUPAC name of 2-(2,4-difluorophenyl)-1-(4-ethyltriazol-1-yl)-3-pyrazol-1-ylpropan-2-ol (CID 135208992) is 2-(2,4-difluorophenyl)-1-(4-ethyltriazol-1-yl)-3-pyrazol-1-ylpropan-2-ol.
What is the SMILES notation for 2-(2,4-difluorophenyl)-1-(4-ethyltriazol-1-yl)-3-pyrazol-1-ylpropan-2-ol?
The canonical SMILES for 2-(2,4-difluorophenyl)-1-(4-ethyltriazol-1-yl)-3-pyrazol-1-ylpropan-2-ol is CCc1cn(CC(O)(Cn2cccn2)c2ccc(F)cc2F)nn1.
What is the InChIKey of 2-(2,4-difluorophenyl)-1-(4-ethyltriazol-1-yl)-3-pyrazol-1-ylpropan-2-ol?
The InChIKey is TVLCGSCHTZVIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N5O/c1-2-13-9-23(21-20-13)11-16(24,10-22-7-3-6-19-22)14-5-4-12(17)8-15(14)18/h3-9,24H,2,10-11H2,1H3.
What are the key properties of 2-(2,4-difluorophenyl)-1-(4-ethyltriazol-1-yl)-3-pyrazol-1-ylpropan-2-ol?
2-(2,4-difluorophenyl)-1-(4-ethyltriazol-1-yl)-3-pyrazol-1-ylpropan-2-ol has a molecular weight of 333.34 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-1-(4-ethyltriazol-1-yl)-3-pyrazol-1-ylpropan-2-ol is sourced from PubChem (CID 135208992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).