[3,5-difluoro-4-[(2-phenylpyrazol-3-yl)methoxy]phenyl]methanol

C17H14F2N2O2 — CID 155672073

IUPAC[3,5-difluoro-4-[(2-phenylpyrazol-3-yl)methoxy]phenyl]methanol
SMILESOCc1cc(F)c(OCc2ccnn2-c2ccccc2)c(F)c1
InChIInChI=1S/C17H14F2N2O2/c18-15-8-12(10-22)9-16(19)17(15)23-11-14-6-7-20-21(14)13-4-2-1-3-5-13/h1-9,22H,10-11H2
InChIKeyNMFAXBLKUHCWCZ-UHFFFAOYSA-N
MW316.31 g/mol
LogP3.22
Rot. Bonds5

About [3,5-difluoro-4-[(2-phenylpyrazol-3-yl)methoxy]phenyl]methanol

[3,5-difluoro-4-[(2-phenylpyrazol-3-yl)methoxy]phenyl]methanol (PubChem CID 155672073) has the molecular formula C17H14F2N2O2 and a molecular weight of 316.31 g/mol. Its IUPAC name is [3,5-difluoro-4-[(2-phenylpyrazol-3-yl)methoxy]phenyl]methanol.

Molecular Properties

Compound Name[3,5-difluoro-4-[(2-phenylpyrazol-3-yl)methoxy]phenyl]methanol
PubChem CID155672073
Molecular FormulaC17H14F2N2O2
Molecular Weight316.31 g/mol
Exact Mass316.10
IUPAC Name[3,5-difluoro-4-[(2-phenylpyrazol-3-yl)methoxy]phenyl]methanol
SMILESOCc1cc(F)c(OCc2ccnn2-c2ccccc2)c(F)c1
InChIInChI=1S/C17H14F2N2O2/c18-15-8-12(10-22)9-16(19)17(15)23-11-14-6-7-20-21(14)13-4-2-1-3-5-13/h1-9,22H,10-11H2
InChIKeyNMFAXBLKUHCWCZ-UHFFFAOYSA-N
XLogP3.22
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 53.22
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-[(2-phenylpyrazol-3-yl)methoxy]phenyl]methanol?
The IUPAC name of [3,5-difluoro-4-[(2-phenylpyrazol-3-yl)methoxy]phenyl]methanol (CID 155672073) is [3,5-difluoro-4-[(2-phenylpyrazol-3-yl)methoxy]phenyl]methanol.
What is the SMILES notation for [3,5-difluoro-4-[(2-phenylpyrazol-3-yl)methoxy]phenyl]methanol?
The canonical SMILES for [3,5-difluoro-4-[(2-phenylpyrazol-3-yl)methoxy]phenyl]methanol is OCc1cc(F)c(OCc2ccnn2-c2ccccc2)c(F)c1.
What is the InChIKey of [3,5-difluoro-4-[(2-phenylpyrazol-3-yl)methoxy]phenyl]methanol?
The InChIKey is NMFAXBLKUHCWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2O2/c18-15-8-12(10-22)9-16(19)17(15)23-11-14-6-7-20-21(14)13-4-2-1-3-5-13/h1-9,22H,10-11H2.
What are the key properties of [3,5-difluoro-4-[(2-phenylpyrazol-3-yl)methoxy]phenyl]methanol?
[3,5-difluoro-4-[(2-phenylpyrazol-3-yl)methoxy]phenyl]methanol has a molecular weight of 316.31 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-difluoro-4-[(2-phenylpyrazol-3-yl)methoxy]phenyl]methanol is sourced from PubChem (CID 155672073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).