[3,5-difluoro-4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]methanol

C13H14F2N2O2 — CID 116802003

IUPAC[3,5-difluoro-4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]methanol
SMILESCC(C)n1cc(Oc2c(F)cc(CO)cc2F)cn1
InChIInChI=1S/C13H14F2N2O2/c1-8(2)17-6-10(5-16-17)19-13-11(14)3-9(7-18)4-12(13)15/h3-6,8,18H,7H2,1-2H3
InChIKeyIXIZYUQZJDCFEF-UHFFFAOYSA-N
MW268.26 g/mol
LogP3.03
Rot. Bonds4

About [3,5-difluoro-4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]methanol

[3,5-difluoro-4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]methanol (PubChem CID 116802003) has the molecular formula C13H14F2N2O2 and a molecular weight of 268.26 g/mol. Its IUPAC name is [3,5-difluoro-4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]methanol.

Molecular Properties

Compound Name[3,5-difluoro-4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]methanol
PubChem CID116802003
Molecular FormulaC13H14F2N2O2
Molecular Weight268.26 g/mol
Exact Mass268.10
IUPAC Name[3,5-difluoro-4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]methanol
SMILESCC(C)n1cc(Oc2c(F)cc(CO)cc2F)cn1
InChIInChI=1S/C13H14F2N2O2/c1-8(2)17-6-10(5-16-17)19-13-11(14)3-9(7-18)4-12(13)15/h3-6,8,18H,7H2,1-2H3
InChIKeyIXIZYUQZJDCFEF-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3,5-difluoro-4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]methanol?
The IUPAC name of [3,5-difluoro-4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]methanol (CID 116802003) is [3,5-difluoro-4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]methanol.
What is the SMILES notation for [3,5-difluoro-4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]methanol?
The canonical SMILES for [3,5-difluoro-4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]methanol is CC(C)n1cc(Oc2c(F)cc(CO)cc2F)cn1.
What is the InChIKey of [3,5-difluoro-4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]methanol?
The InChIKey is IXIZYUQZJDCFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O2/c1-8(2)17-6-10(5-16-17)19-13-11(14)3-9(7-18)4-12(13)15/h3-6,8,18H,7H2,1-2H3.
What are the key properties of [3,5-difluoro-4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]methanol?
[3,5-difluoro-4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]methanol has a molecular weight of 268.26 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-difluoro-4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]methanol is sourced from PubChem (CID 116802003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).