4-[1-(2-fluoropropyl)-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]pyridine

C24H22FN3O — CID 67151076

IUPAC4-[1-(2-fluoropropyl)-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]pyridine
SMILESCC(F)Cn1cc(-c2ccncc2)c(-c2ccc(OCc3ccccc3)cc2)n1
InChIInChI=1S/C24H22FN3O/c1-18(25)15-28-16-23(20-11-13-26-14-12-20)24(27-28)21-7-9-22(10-8-21)29-17-19-5-3-2-4-6-19/h2-14,16,18H,15,17H2,1H3
InChIKeyIEZUJBLXDSPAHL-UHFFFAOYSA-N
MW387.46 g/mol
LogP5.55
Rot. Bonds7

About 4-[1-(2-fluoropropyl)-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]pyridine

4-[1-(2-fluoropropyl)-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]pyridine (PubChem CID 67151076) has the molecular formula C24H22FN3O and a molecular weight of 387.46 g/mol. Its IUPAC name is 4-[1-(2-fluoropropyl)-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]pyridine.

Molecular Properties

Compound Name4-[1-(2-fluoropropyl)-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]pyridine
PubChem CID67151076
Molecular FormulaC24H22FN3O
Molecular Weight387.46 g/mol
Exact Mass387.17
IUPAC Name4-[1-(2-fluoropropyl)-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]pyridine
SMILESCC(F)Cn1cc(-c2ccncc2)c(-c2ccc(OCc3ccccc3)cc2)n1
InChIInChI=1S/C24H22FN3O/c1-18(25)15-28-16-23(20-11-13-26-14-12-20)24(27-28)21-7-9-22(10-8-21)29-17-19-5-3-2-4-6-19/h2-14,16,18H,15,17H2,1H3
InChIKeyIEZUJBLXDSPAHL-UHFFFAOYSA-N
XLogP5.55
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.46
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-fluoropropyl)-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]pyridine?
The IUPAC name of 4-[1-(2-fluoropropyl)-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]pyridine (CID 67151076) is 4-[1-(2-fluoropropyl)-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]pyridine.
What is the SMILES notation for 4-[1-(2-fluoropropyl)-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]pyridine?
The canonical SMILES for 4-[1-(2-fluoropropyl)-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]pyridine is CC(F)Cn1cc(-c2ccncc2)c(-c2ccc(OCc3ccccc3)cc2)n1.
What is the InChIKey of 4-[1-(2-fluoropropyl)-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]pyridine?
The InChIKey is IEZUJBLXDSPAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O/c1-18(25)15-28-16-23(20-11-13-26-14-12-20)24(27-28)21-7-9-22(10-8-21)29-17-19-5-3-2-4-6-19/h2-14,16,18H,15,17H2,1H3.
What are the key properties of 4-[1-(2-fluoropropyl)-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]pyridine?
4-[1-(2-fluoropropyl)-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]pyridine has a molecular weight of 387.46 g/mol, XLogP of 5.55, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-fluoropropyl)-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]pyridine is sourced from PubChem (CID 67151076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).