3-[3-[3-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]pyrazol-1-yl]propan-1-ol

C17H15ClFN3O2 — CID 167188371

IUPAC3-[3-[3-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]pyrazol-1-yl]propan-1-ol
SMILESOCCCn1ccc(-c2cccc(Oc3ncc(Cl)cc3F)c2)n1
InChIInChI=1S/C17H15ClFN3O2/c18-13-10-15(19)17(20-11-13)24-14-4-1-3-12(9-14)16-5-7-22(21-16)6-2-8-23/h1,3-5,7,9-11,23H,2,6,8H2
InChIKeyCKHCGFQVOOWMQL-UHFFFAOYSA-N
MW347.78 g/mol
LogP3.91
Rot. Bonds6

About 3-[3-[3-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]pyrazol-1-yl]propan-1-ol

3-[3-[3-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]pyrazol-1-yl]propan-1-ol (PubChem CID 167188371) has the molecular formula C17H15ClFN3O2 and a molecular weight of 347.78 g/mol. Its IUPAC name is 3-[3-[3-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]pyrazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[3-[3-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]pyrazol-1-yl]propan-1-ol
PubChem CID167188371
Molecular FormulaC17H15ClFN3O2
Molecular Weight347.78 g/mol
Exact Mass347.08
IUPAC Name3-[3-[3-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]pyrazol-1-yl]propan-1-ol
SMILESOCCCn1ccc(-c2cccc(Oc3ncc(Cl)cc3F)c2)n1
InChIInChI=1S/C17H15ClFN3O2/c18-13-10-15(19)17(20-11-13)24-14-4-1-3-12(9-14)16-5-7-22(21-16)6-2-8-23/h1,3-5,7,9-11,23H,2,6,8H2
InChIKeyCKHCGFQVOOWMQL-UHFFFAOYSA-N
XLogP3.91
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.78
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]pyrazol-1-yl]propan-1-ol?
The IUPAC name of 3-[3-[3-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]pyrazol-1-yl]propan-1-ol (CID 167188371) is 3-[3-[3-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]pyrazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[3-[3-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]pyrazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[3-[3-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]pyrazol-1-yl]propan-1-ol is OCCCn1ccc(-c2cccc(Oc3ncc(Cl)cc3F)c2)n1.
What is the InChIKey of 3-[3-[3-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]pyrazol-1-yl]propan-1-ol?
The InChIKey is CKHCGFQVOOWMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN3O2/c18-13-10-15(19)17(20-11-13)24-14-4-1-3-12(9-14)16-5-7-22(21-16)6-2-8-23/h1,3-5,7,9-11,23H,2,6,8H2.
What are the key properties of 3-[3-[3-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]pyrazol-1-yl]propan-1-ol?
3-[3-[3-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]pyrazol-1-yl]propan-1-ol has a molecular weight of 347.78 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]pyrazol-1-yl]propan-1-ol is sourced from PubChem (CID 167188371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).