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

C24H23N3O — CID 176626367

IUPAC5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-pyrazol-1-ylpyridine
SMILESCc1ccc(C(C)(C)c2ccc(Oc3ccc(-n4cccn4)nc3)cc2)cc1
InChIInChI=1S/C24H23N3O/c1-18-5-7-19(8-6-18)24(2,3)20-9-11-21(12-10-20)28-22-13-14-23(25-17-22)27-16-4-15-26-27/h4-17H,1-3H3
InChIKeyWDXCPQCECRBJLJ-UHFFFAOYSA-N
MW369.47 g/mol
LogP5.69
Rot. Bonds5

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

5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-pyrazol-1-ylpyridine (PubChem CID 176626367) has the molecular formula C24H23N3O and a molecular weight of 369.47 g/mol. Its IUPAC name is 5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-pyrazol-1-ylpyridine.

Molecular Properties

Compound Name5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-pyrazol-1-ylpyridine
PubChem CID176626367
Molecular FormulaC24H23N3O
Molecular Weight369.47 g/mol
Exact Mass369.18
IUPAC Name5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-pyrazol-1-ylpyridine
SMILESCc1ccc(C(C)(C)c2ccc(Oc3ccc(-n4cccn4)nc3)cc2)cc1
InChIInChI=1S/C24H23N3O/c1-18-5-7-19(8-6-18)24(2,3)20-9-11-21(12-10-20)28-22-13-14-23(25-17-22)27-16-4-15-26-27/h4-17H,1-3H3
InChIKeyWDXCPQCECRBJLJ-UHFFFAOYSA-N
XLogP5.69
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.47
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-(triazol-2-yl)pyrimidine
CID 176626174
3-fluoro-5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-(triazol-2-yl)pyridine
CID 176625728
1,3,5-tris[4-[4-[2-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenyl]propan-2-yl]phenoxy]phenoxy]benzene
CID 102304470
3-[4-[2-[4-[[6-(triazol-2-yl)-3-pyridinyl]oxy]phenyl]propan-2-yl]phenoxy]cyclobutan-1-amine
CID 167437281
5-fluoro-2-(4-fluoropyrazol-1-yl)-4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyridine
CID 176625960
4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]benzenethiol
CID 142069246
1-(4-methylphenoxy)-4-[4-[4-[2-[3-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]phenoxy]benzene
CID 159990763
5-(4-methylphenyl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole
CID 53171722
1-methyl-4-[4-[2-[4-(3-methylpentan-3-yl)phenyl]propan-2-yl]phenoxy]benzene
CID 163745611
4-(4-fluoropyrazol-1-yl)-6-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrimidine
CID 176626406
2-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-4-(triazol-2-yl)pyridine
CID 176626168
5-fluoro-2-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-4-(triazol-2-yl)pyrimidine
CID 176626365

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-pyrazol-1-ylpyridine?
The IUPAC name of 5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-pyrazol-1-ylpyridine (CID 176626367) is 5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-pyrazol-1-ylpyridine.
What is the SMILES notation for 5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-pyrazol-1-ylpyridine?
The canonical SMILES for 5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-pyrazol-1-ylpyridine is Cc1ccc(C(C)(C)c2ccc(Oc3ccc(-n4cccn4)nc3)cc2)cc1.
What is the InChIKey of 5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-pyrazol-1-ylpyridine?
The InChIKey is WDXCPQCECRBJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O/c1-18-5-7-19(8-6-18)24(2,3)20-9-11-21(12-10-20)28-22-13-14-23(25-17-22)27-16-4-15-26-27/h4-17H,1-3H3.
What are the key properties of 5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-pyrazol-1-ylpyridine?
5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-pyrazol-1-ylpyridine has a molecular weight of 369.47 g/mol, XLogP of 5.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-pyrazol-1-ylpyridine is sourced from PubChem (CID 176626367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).