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

C23H20FN3O — CID 24821850

IUPAC3-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-1-phenylpropan-1-ol
SMILESOC(CCc1[nH]nc(-c2ccc(F)cc2)c1-c1ccncc1)c1ccccc1
InChIInChI=1S/C23H20FN3O/c24-19-8-6-18(7-9-19)23-22(17-12-14-25-15-13-17)20(26-27-23)10-11-21(28)16-4-2-1-3-5-16/h1-9,12-15,21,28H,10-11H2,(H,26,27)
InChIKeyVJEHMNUJQXLMGP-UHFFFAOYSA-N
MW373.43 g/mol
LogP4.94
Rot. Bonds6

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

3-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-1-phenylpropan-1-ol (PubChem CID 24821850) has the molecular formula C23H20FN3O and a molecular weight of 373.43 g/mol. Its IUPAC name is 3-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name3-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-1-phenylpropan-1-ol
PubChem CID24821850
Molecular FormulaC23H20FN3O
Molecular Weight373.43 g/mol
Exact Mass373.16
IUPAC Name3-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-1-phenylpropan-1-ol
SMILESOC(CCc1[nH]nc(-c2ccc(F)cc2)c1-c1ccncc1)c1ccccc1
InChIInChI=1S/C23H20FN3O/c24-19-8-6-18(7-9-19)23-22(17-12-14-25-15-13-17)20(26-27-23)10-11-21(28)16-4-2-1-3-5-16/h1-9,12-15,21,28H,10-11H2,(H,26,27)
InChIKeyVJEHMNUJQXLMGP-UHFFFAOYSA-N
XLogP4.94
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-1-phenylpropan-1-ol?
The IUPAC name of 3-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-1-phenylpropan-1-ol (CID 24821850) is 3-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-1-phenylpropan-1-ol.
What is the SMILES notation for 3-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-1-phenylpropan-1-ol?
The canonical SMILES for 3-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-1-phenylpropan-1-ol is OC(CCc1[nH]nc(-c2ccc(F)cc2)c1-c1ccncc1)c1ccccc1.
What is the InChIKey of 3-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-1-phenylpropan-1-ol?
The InChIKey is VJEHMNUJQXLMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O/c24-19-8-6-18(7-9-19)23-22(17-12-14-25-15-13-17)20(26-27-23)10-11-21(28)16-4-2-1-3-5-16/h1-9,12-15,21,28H,10-11H2,(H,26,27).
What are the key properties of 3-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-1-phenylpropan-1-ol?
3-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-1-phenylpropan-1-ol has a molecular weight of 373.43 g/mol, XLogP of 4.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-1-phenylpropan-1-ol is sourced from PubChem (CID 24821850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).