1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-4-phenylbutan-1-ol

C24H22FN3O — CID 24821523

IUPAC1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-4-phenylbutan-1-ol
SMILESOC(CCCc1ccccc1)c1[nH]nc(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C24H22FN3O/c25-20-11-9-19(10-12-20)23-22(18-13-15-26-16-14-18)24(28-27-23)21(29)8-4-7-17-5-2-1-3-6-17/h1-3,5-6,9-16,21,29H,4,7-8H2,(H,27,28)
InChIKeyKPYFTWGXGYXVDX-UHFFFAOYSA-N
MW387.46 g/mol
LogP5.33
Rot. Bonds7

About 1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-4-phenylbutan-1-ol

1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-4-phenylbutan-1-ol (PubChem CID 24821523) has the molecular formula C24H22FN3O and a molecular weight of 387.46 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-4-phenylbutan-1-ol.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-4-phenylbutan-1-ol
PubChem CID24821523
Molecular FormulaC24H22FN3O
Molecular Weight387.46 g/mol
Exact Mass387.17
IUPAC Name1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-4-phenylbutan-1-ol
SMILESOC(CCCc1ccccc1)c1[nH]nc(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C24H22FN3O/c25-20-11-9-19(10-12-20)23-22(18-13-15-26-16-14-18)24(28-27-23)21(29)8-4-7-17-5-2-1-3-6-17/h1-3,5-6,9-16,21,29H,4,7-8H2,(H,27,28)
InChIKeyKPYFTWGXGYXVDX-UHFFFAOYSA-N
XLogP5.33
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.46
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-4-phenylbutan-1-ol?
The IUPAC name of 1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-4-phenylbutan-1-ol (CID 24821523) is 1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-4-phenylbutan-1-ol.
What is the SMILES notation for 1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-4-phenylbutan-1-ol?
The canonical SMILES for 1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-4-phenylbutan-1-ol is OC(CCCc1ccccc1)c1[nH]nc(-c2ccc(F)cc2)c1-c1ccncc1.
What is the InChIKey of 1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-4-phenylbutan-1-ol?
The InChIKey is KPYFTWGXGYXVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O/c25-20-11-9-19(10-12-20)23-22(18-13-15-26-16-14-18)24(28-27-23)21(29)8-4-7-17-5-2-1-3-6-17/h1-3,5-6,9-16,21,29H,4,7-8H2,(H,27,28).
What are the key properties of 1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-4-phenylbutan-1-ol?
1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-4-phenylbutan-1-ol has a molecular weight of 387.46 g/mol, XLogP of 5.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-4-phenylbutan-1-ol is sourced from PubChem (CID 24821523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).