5-fluoro-4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-pyrazol-1-ylpyridine

C24H22FN3O — CID 176625693

IUPAC5-fluoro-4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-pyrazol-1-ylpyridine
SMILESCc1ccc(C(C)(C)c2ccc(Oc3cc(-n4cccn4)ncc3F)cc2)cc1
InChIInChI=1S/C24H22FN3O/c1-17-5-7-18(8-6-17)24(2,3)19-9-11-20(12-10-19)29-22-15-23(26-16-21(22)25)28-14-4-13-27-28/h4-16H,1-3H3
InChIKeySKLRCWHVUHTMRF-UHFFFAOYSA-N
MW387.46 g/mol
LogP5.83
Rot. Bonds5

About 5-fluoro-4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-pyrazol-1-ylpyridine

5-fluoro-4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-pyrazol-1-ylpyridine (PubChem CID 176625693) has the molecular formula C24H22FN3O and a molecular weight of 387.46 g/mol. Its IUPAC name is 5-fluoro-4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-pyrazol-1-ylpyridine.

Molecular Properties

Compound Name5-fluoro-4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-pyrazol-1-ylpyridine
PubChem CID176625693
Molecular FormulaC24H22FN3O
Molecular Weight387.46 g/mol
Exact Mass387.17
IUPAC Name5-fluoro-4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-pyrazol-1-ylpyridine
SMILESCc1ccc(C(C)(C)c2ccc(Oc3cc(-n4cccn4)ncc3F)cc2)cc1
InChIInChI=1S/C24H22FN3O/c1-17-5-7-18(8-6-17)24(2,3)19-9-11-20(12-10-19)29-22-15-23(26-16-21(22)25)28-14-4-13-27-28/h4-16H,1-3H3
InChIKeySKLRCWHVUHTMRF-UHFFFAOYSA-N
XLogP5.83
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.46
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-pyrazol-1-ylpyridine?
The IUPAC name of 5-fluoro-4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-pyrazol-1-ylpyridine (CID 176625693) is 5-fluoro-4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-pyrazol-1-ylpyridine.
What is the SMILES notation for 5-fluoro-4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-pyrazol-1-ylpyridine?
The canonical SMILES for 5-fluoro-4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-pyrazol-1-ylpyridine is Cc1ccc(C(C)(C)c2ccc(Oc3cc(-n4cccn4)ncc3F)cc2)cc1.
What is the InChIKey of 5-fluoro-4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-pyrazol-1-ylpyridine?
The InChIKey is SKLRCWHVUHTMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O/c1-17-5-7-18(8-6-17)24(2,3)19-9-11-20(12-10-19)29-22-15-23(26-16-21(22)25)28-14-4-13-27-28/h4-16H,1-3H3.
What are the key properties of 5-fluoro-4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-pyrazol-1-ylpyridine?
5-fluoro-4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-pyrazol-1-ylpyridine has a molecular weight of 387.46 g/mol, XLogP of 5.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-pyrazol-1-ylpyridine is sourced from PubChem (CID 176625693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).