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

C24H22FN3O — CID 24821593

IUPAC1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-3-phenylbutan-1-ol
SMILESCC(CC(O)c1[nH]nc(-c2ccc(F)cc2)c1-c1ccncc1)c1ccccc1
InChIInChI=1S/C24H22FN3O/c1-16(17-5-3-2-4-6-17)15-21(29)24-22(18-11-13-26-14-12-18)23(27-28-24)19-7-9-20(25)10-8-19/h2-14,16,21,29H,15H2,1H3,(H,27,28)
InChIKeyTZZSJWUVMYYPIT-UHFFFAOYSA-N
MW387.46 g/mol
LogP5.51
Rot. Bonds6

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

1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-3-phenylbutan-1-ol (PubChem CID 24821593) 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]-3-phenylbutan-1-ol.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-3-phenylbutan-1-ol
PubChem CID24821593
Molecular FormulaC24H22FN3O
Molecular Weight387.46 g/mol
Exact Mass387.17
IUPAC Name1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-3-phenylbutan-1-ol
SMILESCC(CC(O)c1[nH]nc(-c2ccc(F)cc2)c1-c1ccncc1)c1ccccc1
InChIInChI=1S/C24H22FN3O/c1-16(17-5-3-2-4-6-17)15-21(29)24-22(18-11-13-26-14-12-18)23(27-28-24)19-7-9-20(25)10-8-19/h2-14,16,21,29H,15H2,1H3,(H,27,28)
InChIKeyTZZSJWUVMYYPIT-UHFFFAOYSA-N
XLogP5.51
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.46
LogP ≤ 55.51
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]-3-phenylbutan-1-ol?
The IUPAC name of 1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-3-phenylbutan-1-ol (CID 24821593) is 1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-3-phenylbutan-1-ol.
What is the SMILES notation for 1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-3-phenylbutan-1-ol?
The canonical SMILES for 1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-3-phenylbutan-1-ol is CC(CC(O)c1[nH]nc(-c2ccc(F)cc2)c1-c1ccncc1)c1ccccc1.
What is the InChIKey of 1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-3-phenylbutan-1-ol?
The InChIKey is TZZSJWUVMYYPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O/c1-16(17-5-3-2-4-6-17)15-21(29)24-22(18-11-13-26-14-12-18)23(27-28-24)19-7-9-20(25)10-8-19/h2-14,16,21,29H,15H2,1H3,(H,27,28).
What are the key properties of 1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-3-phenylbutan-1-ol?
1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-3-phenylbutan-1-ol has a molecular weight of 387.46 g/mol, XLogP of 5.51, 6 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]-3-phenylbutan-1-ol is sourced from PubChem (CID 24821593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).