[4-[(2,5-dimethylpyrazol-3-yl)methoxy]-3,5-difluorophenyl]methanol

C13H14F2N2O2 — CID 79887881

IUPAC[4-[(2,5-dimethylpyrazol-3-yl)methoxy]-3,5-difluorophenyl]methanol
SMILESCc1cc(COc2c(F)cc(CO)cc2F)n(C)n1
InChIInChI=1S/C13H14F2N2O2/c1-8-3-10(17(2)16-8)7-19-13-11(14)4-9(6-18)5-12(13)15/h3-5,18H,6-7H2,1-2H3
InChIKeyAPOCVIHGEUTODL-UHFFFAOYSA-N
MW268.26 g/mol
LogP2.08
Rot. Bonds4

About [4-[(2,5-dimethylpyrazol-3-yl)methoxy]-3,5-difluorophenyl]methanol

[4-[(2,5-dimethylpyrazol-3-yl)methoxy]-3,5-difluorophenyl]methanol (PubChem CID 79887881) has the molecular formula C13H14F2N2O2 and a molecular weight of 268.26 g/mol. Its IUPAC name is [4-[(2,5-dimethylpyrazol-3-yl)methoxy]-3,5-difluorophenyl]methanol.

Molecular Properties

Compound Name[4-[(2,5-dimethylpyrazol-3-yl)methoxy]-3,5-difluorophenyl]methanol
PubChem CID79887881
Molecular FormulaC13H14F2N2O2
Molecular Weight268.26 g/mol
Exact Mass268.10
IUPAC Name[4-[(2,5-dimethylpyrazol-3-yl)methoxy]-3,5-difluorophenyl]methanol
SMILESCc1cc(COc2c(F)cc(CO)cc2F)n(C)n1
InChIInChI=1S/C13H14F2N2O2/c1-8-3-10(17(2)16-8)7-19-13-11(14)4-9(6-18)5-12(13)15/h3-5,18H,6-7H2,1-2H3
InChIKeyAPOCVIHGEUTODL-UHFFFAOYSA-N
XLogP2.08
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[(2,5-dimethylpyrazol-3-yl)methoxy]-3,5-difluorophenyl]methanol?
The IUPAC name of [4-[(2,5-dimethylpyrazol-3-yl)methoxy]-3,5-difluorophenyl]methanol (CID 79887881) is [4-[(2,5-dimethylpyrazol-3-yl)methoxy]-3,5-difluorophenyl]methanol.
What is the SMILES notation for [4-[(2,5-dimethylpyrazol-3-yl)methoxy]-3,5-difluorophenyl]methanol?
The canonical SMILES for [4-[(2,5-dimethylpyrazol-3-yl)methoxy]-3,5-difluorophenyl]methanol is Cc1cc(COc2c(F)cc(CO)cc2F)n(C)n1.
What is the InChIKey of [4-[(2,5-dimethylpyrazol-3-yl)methoxy]-3,5-difluorophenyl]methanol?
The InChIKey is APOCVIHGEUTODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O2/c1-8-3-10(17(2)16-8)7-19-13-11(14)4-9(6-18)5-12(13)15/h3-5,18H,6-7H2,1-2H3.
What are the key properties of [4-[(2,5-dimethylpyrazol-3-yl)methoxy]-3,5-difluorophenyl]methanol?
[4-[(2,5-dimethylpyrazol-3-yl)methoxy]-3,5-difluorophenyl]methanol has a molecular weight of 268.26 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,5-dimethylpyrazol-3-yl)methoxy]-3,5-difluorophenyl]methanol is sourced from PubChem (CID 79887881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).