1-(3-pyrazol-1-ylphenoxy)-3-(2,2,2-trifluoroethoxy)propan-2-ol

C14H15F3N2O3 — CID 167896512

IUPAC1-(3-pyrazol-1-ylphenoxy)-3-(2,2,2-trifluoroethoxy)propan-2-ol
SMILESOC(COCC(F)(F)F)COc1cccc(-n2cccn2)c1
InChIInChI=1S/C14H15F3N2O3/c15-14(16,17)10-21-8-12(20)9-22-13-4-1-3-11(7-13)19-6-2-5-18-19/h1-7,12,20H,8-10H2
InChIKeyWPINXETWFBNSJH-UHFFFAOYSA-N
MW316.28 g/mol
LogP2.19
Rot. Bonds7

About 1-(3-pyrazol-1-ylphenoxy)-3-(2,2,2-trifluoroethoxy)propan-2-ol

1-(3-pyrazol-1-ylphenoxy)-3-(2,2,2-trifluoroethoxy)propan-2-ol (PubChem CID 167896512) has the molecular formula C14H15F3N2O3 and a molecular weight of 316.28 g/mol. Its IUPAC name is 1-(3-pyrazol-1-ylphenoxy)-3-(2,2,2-trifluoroethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(3-pyrazol-1-ylphenoxy)-3-(2,2,2-trifluoroethoxy)propan-2-ol
PubChem CID167896512
Molecular FormulaC14H15F3N2O3
Molecular Weight316.28 g/mol
Exact Mass316.10
IUPAC Name1-(3-pyrazol-1-ylphenoxy)-3-(2,2,2-trifluoroethoxy)propan-2-ol
SMILESOC(COCC(F)(F)F)COc1cccc(-n2cccn2)c1
InChIInChI=1S/C14H15F3N2O3/c15-14(16,17)10-21-8-12(20)9-22-13-4-1-3-11(7-13)19-6-2-5-18-19/h1-7,12,20H,8-10H2
InChIKeyWPINXETWFBNSJH-UHFFFAOYSA-N
XLogP2.19
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.28
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-pyrazol-1-ylphenoxy)-3-(2,2,2-trifluoroethoxy)propan-2-ol?
The IUPAC name of 1-(3-pyrazol-1-ylphenoxy)-3-(2,2,2-trifluoroethoxy)propan-2-ol (CID 167896512) is 1-(3-pyrazol-1-ylphenoxy)-3-(2,2,2-trifluoroethoxy)propan-2-ol.
What is the SMILES notation for 1-(3-pyrazol-1-ylphenoxy)-3-(2,2,2-trifluoroethoxy)propan-2-ol?
The canonical SMILES for 1-(3-pyrazol-1-ylphenoxy)-3-(2,2,2-trifluoroethoxy)propan-2-ol is OC(COCC(F)(F)F)COc1cccc(-n2cccn2)c1.
What is the InChIKey of 1-(3-pyrazol-1-ylphenoxy)-3-(2,2,2-trifluoroethoxy)propan-2-ol?
The InChIKey is WPINXETWFBNSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O3/c15-14(16,17)10-21-8-12(20)9-22-13-4-1-3-11(7-13)19-6-2-5-18-19/h1-7,12,20H,8-10H2.
What are the key properties of 1-(3-pyrazol-1-ylphenoxy)-3-(2,2,2-trifluoroethoxy)propan-2-ol?
1-(3-pyrazol-1-ylphenoxy)-3-(2,2,2-trifluoroethoxy)propan-2-ol has a molecular weight of 316.28 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-pyrazol-1-ylphenoxy)-3-(2,2,2-trifluoroethoxy)propan-2-ol is sourced from PubChem (CID 167896512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).