2-fluoro-6-methoxy-4-[1-(4-pyrazol-1-ylphenyl)triazol-4-yl]phenol

C18H14FN5O2 — CID 155620421

IUPAC2-fluoro-6-methoxy-4-[1-(4-pyrazol-1-ylphenyl)triazol-4-yl]phenol
SMILESCOc1cc(-c2cn(-c3ccc(-n4cccn4)cc3)nn2)cc(F)c1O
InChIInChI=1S/C18H14FN5O2/c1-26-17-10-12(9-15(19)18(17)25)16-11-24(22-21-16)14-5-3-13(4-6-14)23-8-2-7-20-23/h2-11,25H,1H3
InChIKeyZYKWQJFISDTFKJ-UHFFFAOYSA-N
MW351.34 g/mol
LogP2.97
Rot. Bonds4

About 2-fluoro-6-methoxy-4-[1-(4-pyrazol-1-ylphenyl)triazol-4-yl]phenol

2-fluoro-6-methoxy-4-[1-(4-pyrazol-1-ylphenyl)triazol-4-yl]phenol (PubChem CID 155620421) has the molecular formula C18H14FN5O2 and a molecular weight of 351.34 g/mol. Its IUPAC name is 2-fluoro-6-methoxy-4-[1-(4-pyrazol-1-ylphenyl)triazol-4-yl]phenol.

Molecular Properties

Compound Name2-fluoro-6-methoxy-4-[1-(4-pyrazol-1-ylphenyl)triazol-4-yl]phenol
PubChem CID155620421
Molecular FormulaC18H14FN5O2
Molecular Weight351.34 g/mol
Exact Mass351.11
IUPAC Name2-fluoro-6-methoxy-4-[1-(4-pyrazol-1-ylphenyl)triazol-4-yl]phenol
SMILESCOc1cc(-c2cn(-c3ccc(-n4cccn4)cc3)nn2)cc(F)c1O
InChIInChI=1S/C18H14FN5O2/c1-26-17-10-12(9-15(19)18(17)25)16-11-24(22-21-16)14-5-3-13(4-6-14)23-8-2-7-20-23/h2-11,25H,1H3
InChIKeyZYKWQJFISDTFKJ-UHFFFAOYSA-N
XLogP2.97
TPSA77.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.34
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-methoxy-4-[1-(4-pyrazol-1-ylphenyl)triazol-4-yl]phenol?
The IUPAC name of 2-fluoro-6-methoxy-4-[1-(4-pyrazol-1-ylphenyl)triazol-4-yl]phenol (CID 155620421) is 2-fluoro-6-methoxy-4-[1-(4-pyrazol-1-ylphenyl)triazol-4-yl]phenol.
What is the SMILES notation for 2-fluoro-6-methoxy-4-[1-(4-pyrazol-1-ylphenyl)triazol-4-yl]phenol?
The canonical SMILES for 2-fluoro-6-methoxy-4-[1-(4-pyrazol-1-ylphenyl)triazol-4-yl]phenol is COc1cc(-c2cn(-c3ccc(-n4cccn4)cc3)nn2)cc(F)c1O.
What is the InChIKey of 2-fluoro-6-methoxy-4-[1-(4-pyrazol-1-ylphenyl)triazol-4-yl]phenol?
The InChIKey is ZYKWQJFISDTFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5O2/c1-26-17-10-12(9-15(19)18(17)25)16-11-24(22-21-16)14-5-3-13(4-6-14)23-8-2-7-20-23/h2-11,25H,1H3.
What are the key properties of 2-fluoro-6-methoxy-4-[1-(4-pyrazol-1-ylphenyl)triazol-4-yl]phenol?
2-fluoro-6-methoxy-4-[1-(4-pyrazol-1-ylphenyl)triazol-4-yl]phenol has a molecular weight of 351.34 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-methoxy-4-[1-(4-pyrazol-1-ylphenyl)triazol-4-yl]phenol is sourced from PubChem (CID 155620421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).