2,3-difluoro-5-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]propyl]phenol

C17H15F2N3O2 — CID 142526519

IUPAC2,3-difluoro-5-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]propyl]phenol
SMILESOc1cc(CCCOc2ccc(-c3ccn[nH]3)nc2)cc(F)c1F
InChIInChI=1S/C17H15F2N3O2/c18-13-8-11(9-16(23)17(13)19)2-1-7-24-12-3-4-14(20-10-12)15-5-6-21-22-15/h3-6,8-10,23H,1-2,7H2,(H,21,22)
InChIKeyQMIXPZDNIXXOJE-UHFFFAOYSA-N
MW331.32 g/mol
LogP3.47
Rot. Bonds6

About 2,3-difluoro-5-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]propyl]phenol

2,3-difluoro-5-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]propyl]phenol (PubChem CID 142526519) has the molecular formula C17H15F2N3O2 and a molecular weight of 331.32 g/mol. Its IUPAC name is 2,3-difluoro-5-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]propyl]phenol.

Molecular Properties

Compound Name2,3-difluoro-5-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]propyl]phenol
PubChem CID142526519
Molecular FormulaC17H15F2N3O2
Molecular Weight331.32 g/mol
Exact Mass331.11
IUPAC Name2,3-difluoro-5-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]propyl]phenol
SMILESOc1cc(CCCOc2ccc(-c3ccn[nH]3)nc2)cc(F)c1F
InChIInChI=1S/C17H15F2N3O2/c18-13-8-11(9-16(23)17(13)19)2-1-7-24-12-3-4-14(20-10-12)15-5-6-21-22-15/h3-6,8-10,23H,1-2,7H2,(H,21,22)
InChIKeyQMIXPZDNIXXOJE-UHFFFAOYSA-N
XLogP3.47
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.32
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-5-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]propyl]phenol?
The IUPAC name of 2,3-difluoro-5-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]propyl]phenol (CID 142526519) is 2,3-difluoro-5-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]propyl]phenol.
What is the SMILES notation for 2,3-difluoro-5-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]propyl]phenol?
The canonical SMILES for 2,3-difluoro-5-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]propyl]phenol is Oc1cc(CCCOc2ccc(-c3ccn[nH]3)nc2)cc(F)c1F.
What is the InChIKey of 2,3-difluoro-5-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]propyl]phenol?
The InChIKey is QMIXPZDNIXXOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3O2/c18-13-8-11(9-16(23)17(13)19)2-1-7-24-12-3-4-14(20-10-12)15-5-6-21-22-15/h3-6,8-10,23H,1-2,7H2,(H,21,22).
What are the key properties of 2,3-difluoro-5-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]propyl]phenol?
2,3-difluoro-5-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]propyl]phenol has a molecular weight of 331.32 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-5-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]propyl]phenol is sourced from PubChem (CID 142526519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).