[5-(2,5-difluorophenoxy)-1,3-dimethylpyrazol-4-yl]methanol

C12H12F2N2O2 — CID 63269563

IUPAC[5-(2,5-difluorophenoxy)-1,3-dimethylpyrazol-4-yl]methanol
SMILESCc1nn(C)c(Oc2cc(F)ccc2F)c1CO
InChIInChI=1S/C12H12F2N2O2/c1-7-9(6-17)12(16(2)15-7)18-11-5-8(13)3-4-10(11)14/h3-5,17H,6H2,1-2H3
InChIKeyHOYXRLIBKFXDPA-UHFFFAOYSA-N
MW254.24 g/mol
LogP2.29
Rot. Bonds3

About [5-(2,5-difluorophenoxy)-1,3-dimethylpyrazol-4-yl]methanol

[5-(2,5-difluorophenoxy)-1,3-dimethylpyrazol-4-yl]methanol (PubChem CID 63269563) has the molecular formula C12H12F2N2O2 and a molecular weight of 254.24 g/mol. Its IUPAC name is [5-(2,5-difluorophenoxy)-1,3-dimethylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(2,5-difluorophenoxy)-1,3-dimethylpyrazol-4-yl]methanol
PubChem CID63269563
Molecular FormulaC12H12F2N2O2
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC Name[5-(2,5-difluorophenoxy)-1,3-dimethylpyrazol-4-yl]methanol
SMILESCc1nn(C)c(Oc2cc(F)ccc2F)c1CO
InChIInChI=1S/C12H12F2N2O2/c1-7-9(6-17)12(16(2)15-7)18-11-5-8(13)3-4-10(11)14/h3-5,17H,6H2,1-2H3
InChIKeyHOYXRLIBKFXDPA-UHFFFAOYSA-N
XLogP2.29
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(2,5-difluorophenoxy)-1,3-dimethylpyrazol-4-yl]methanol?
The IUPAC name of [5-(2,5-difluorophenoxy)-1,3-dimethylpyrazol-4-yl]methanol (CID 63269563) is [5-(2,5-difluorophenoxy)-1,3-dimethylpyrazol-4-yl]methanol.
What is the SMILES notation for [5-(2,5-difluorophenoxy)-1,3-dimethylpyrazol-4-yl]methanol?
The canonical SMILES for [5-(2,5-difluorophenoxy)-1,3-dimethylpyrazol-4-yl]methanol is Cc1nn(C)c(Oc2cc(F)ccc2F)c1CO.
What is the InChIKey of [5-(2,5-difluorophenoxy)-1,3-dimethylpyrazol-4-yl]methanol?
The InChIKey is HOYXRLIBKFXDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O2/c1-7-9(6-17)12(16(2)15-7)18-11-5-8(13)3-4-10(11)14/h3-5,17H,6H2,1-2H3.
What are the key properties of [5-(2,5-difluorophenoxy)-1,3-dimethylpyrazol-4-yl]methanol?
[5-(2,5-difluorophenoxy)-1,3-dimethylpyrazol-4-yl]methanol has a molecular weight of 254.24 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,5-difluorophenoxy)-1,3-dimethylpyrazol-4-yl]methanol is sourced from PubChem (CID 63269563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).