4-(4-fluoropyrazol-1-yl)-6-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrimidine

C23H21FN4O — CID 176626406

IUPAC4-(4-fluoropyrazol-1-yl)-6-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrimidine
SMILESCc1ccc(C(C)(C)c2ccc(Oc3cc(-n4cc(F)cn4)ncn3)cc2)cc1
InChIInChI=1S/C23H21FN4O/c1-16-4-6-17(7-5-16)23(2,3)18-8-10-20(11-9-18)29-22-12-21(25-15-26-22)28-14-19(24)13-27-28/h4-15H,1-3H3
InChIKeyFUYCUNBHYNHKHC-UHFFFAOYSA-N
MW388.45 g/mol
LogP5.23
Rot. Bonds5

About 4-(4-fluoropyrazol-1-yl)-6-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrimidine

4-(4-fluoropyrazol-1-yl)-6-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrimidine (PubChem CID 176626406) has the molecular formula C23H21FN4O and a molecular weight of 388.45 g/mol. Its IUPAC name is 4-(4-fluoropyrazol-1-yl)-6-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrimidine.

Molecular Properties

Compound Name4-(4-fluoropyrazol-1-yl)-6-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrimidine
PubChem CID176626406
Molecular FormulaC23H21FN4O
Molecular Weight388.45 g/mol
Exact Mass388.17
IUPAC Name4-(4-fluoropyrazol-1-yl)-6-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrimidine
SMILESCc1ccc(C(C)(C)c2ccc(Oc3cc(-n4cc(F)cn4)ncn3)cc2)cc1
InChIInChI=1S/C23H21FN4O/c1-16-4-6-17(7-5-16)23(2,3)18-8-10-20(11-9-18)29-22-12-21(25-15-26-22)28-14-19(24)13-27-28/h4-15H,1-3H3
InChIKeyFUYCUNBHYNHKHC-UHFFFAOYSA-N
XLogP5.23
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.45
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-fluoro-2-(4-fluoropyrazol-1-yl)-4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyridine
CID 176625960
2-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-4-(triazol-2-yl)pyridine
CID 176626168
3-fluoro-5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-(triazol-2-yl)pyridine
CID 176625728
4-(4-methylphenoxy)-6-pyrrolidin-1-ylpyrimidine
CID 91633793
5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-(triazol-2-yl)pyrimidine
CID 176626174
4-(3,5-dimethylpyrazol-1-yl)-6-(4-methylphenoxy)pyrimidine
CID 850309
5-methyl-3-[6-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrimidin-4-yl]-1,2,4-oxadiazole
CID 176625695
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
5-fluoro-2-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-4-(triazol-2-yl)pyrimidine
CID 176626365
5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-pyrazol-1-ylpyridine
CID 176626367
2-methyl-6-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrazine
CID 176625736
4-fluoro-6-(4-methylpyrazol-1-yl)pyrimidine
CID 115417252

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoropyrazol-1-yl)-6-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrimidine?
The IUPAC name of 4-(4-fluoropyrazol-1-yl)-6-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrimidine (CID 176626406) is 4-(4-fluoropyrazol-1-yl)-6-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrimidine.
What is the SMILES notation for 4-(4-fluoropyrazol-1-yl)-6-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrimidine?
The canonical SMILES for 4-(4-fluoropyrazol-1-yl)-6-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrimidine is Cc1ccc(C(C)(C)c2ccc(Oc3cc(-n4cc(F)cn4)ncn3)cc2)cc1.
What is the InChIKey of 4-(4-fluoropyrazol-1-yl)-6-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrimidine?
The InChIKey is FUYCUNBHYNHKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O/c1-16-4-6-17(7-5-16)23(2,3)18-8-10-20(11-9-18)29-22-12-21(25-15-26-22)28-14-19(24)13-27-28/h4-15H,1-3H3.
What are the key properties of 4-(4-fluoropyrazol-1-yl)-6-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrimidine?
4-(4-fluoropyrazol-1-yl)-6-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrimidine has a molecular weight of 388.45 g/mol, XLogP of 5.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoropyrazol-1-yl)-6-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrimidine is sourced from PubChem (CID 176626406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).