4-[5-(4-fluoro-3-methylphenyl)-1-(oxan-2-yl)pyrazol-4-yl]pyridine

C20H20FN3O — CID 67106076

IUPAC4-[5-(4-fluoro-3-methylphenyl)-1-(oxan-2-yl)pyrazol-4-yl]pyridine
SMILESCc1cc(-c2c(-c3ccncc3)cnn2C2CCCCO2)ccc1F
InChIInChI=1S/C20H20FN3O/c1-14-12-16(5-6-18(14)21)20-17(15-7-9-22-10-8-15)13-23-24(20)19-4-2-3-11-25-19/h5-10,12-13,19H,2-4,11H2,1H3
InChIKeyCSWHTNFPJDMIQN-UHFFFAOYSA-N
MW337.40 g/mol
LogP4.76
Rot. Bonds3

About 4-[5-(4-fluoro-3-methylphenyl)-1-(oxan-2-yl)pyrazol-4-yl]pyridine

4-[5-(4-fluoro-3-methylphenyl)-1-(oxan-2-yl)pyrazol-4-yl]pyridine (PubChem CID 67106076) has the molecular formula C20H20FN3O and a molecular weight of 337.40 g/mol. Its IUPAC name is 4-[5-(4-fluoro-3-methylphenyl)-1-(oxan-2-yl)pyrazol-4-yl]pyridine.

Molecular Properties

Compound Name4-[5-(4-fluoro-3-methylphenyl)-1-(oxan-2-yl)pyrazol-4-yl]pyridine
PubChem CID67106076
Molecular FormulaC20H20FN3O
Molecular Weight337.40 g/mol
Exact Mass337.16
IUPAC Name4-[5-(4-fluoro-3-methylphenyl)-1-(oxan-2-yl)pyrazol-4-yl]pyridine
SMILESCc1cc(-c2c(-c3ccncc3)cnn2C2CCCCO2)ccc1F
InChIInChI=1S/C20H20FN3O/c1-14-12-16(5-6-18(14)21)20-17(15-7-9-22-10-8-15)13-23-24(20)19-4-2-3-11-25-19/h5-10,12-13,19H,2-4,11H2,1H3
InChIKeyCSWHTNFPJDMIQN-UHFFFAOYSA-N
XLogP4.76
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Fluorophenyl)-6-methyl-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine
CID 9814925
2-(4-Fluorophenyl)-3-(4-pyridinyl)pyrazolo[1,5-a]pyridine
CID 9857146
1-{4-[3-(4-Fluorophenyl)-1-Methyl-1h-Pyrazol-4-Yl]pyridin-2-Yl}-N-Methylmethanamine
CID 71710904
(NE)-N-[5-[1-(oxan-4-yl)-3-pyridin-4-ylpyrazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 11624965
3-Methyl-5-[(1-methyl-3-phenylpyrazol-5-yl)methyl]pyridine
CID 137631806
2-(4-Fluorophenyl)-5-methyl-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine
CID 9836050
2-(4-Fluorophenyl)-7-methyl-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine
CID 9836051
2-(4-Fluorophenyl)-4-methyl-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine
CID 9879492
4-[3-(4-Fluorophenyl)-1-methyl-1h-pyrazol-4-yl]pyridine
CID 22037373
4-[1-Ethoxymethyl-5-(4-fluoro-phenyl)-1H-[1,2,3]triazol-4-yl]-pyridine
CID 44290243
4-[2-(Ethoxymethyl)-5-(4-fluorophenyl)triazol-4-yl]pyridine
CID 44290409
3-[4-[3-(4-Fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]morpholine
CID 53357600

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluoro-3-methylphenyl)-1-(oxan-2-yl)pyrazol-4-yl]pyridine?
The IUPAC name of 4-[5-(4-fluoro-3-methylphenyl)-1-(oxan-2-yl)pyrazol-4-yl]pyridine (CID 67106076) is 4-[5-(4-fluoro-3-methylphenyl)-1-(oxan-2-yl)pyrazol-4-yl]pyridine.
What is the SMILES notation for 4-[5-(4-fluoro-3-methylphenyl)-1-(oxan-2-yl)pyrazol-4-yl]pyridine?
The canonical SMILES for 4-[5-(4-fluoro-3-methylphenyl)-1-(oxan-2-yl)pyrazol-4-yl]pyridine is Cc1cc(-c2c(-c3ccncc3)cnn2C2CCCCO2)ccc1F.
What is the InChIKey of 4-[5-(4-fluoro-3-methylphenyl)-1-(oxan-2-yl)pyrazol-4-yl]pyridine?
The InChIKey is CSWHTNFPJDMIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O/c1-14-12-16(5-6-18(14)21)20-17(15-7-9-22-10-8-15)13-23-24(20)19-4-2-3-11-25-19/h5-10,12-13,19H,2-4,11H2,1H3.
What are the key properties of 4-[5-(4-fluoro-3-methylphenyl)-1-(oxan-2-yl)pyrazol-4-yl]pyridine?
4-[5-(4-fluoro-3-methylphenyl)-1-(oxan-2-yl)pyrazol-4-yl]pyridine has a molecular weight of 337.40 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluoro-3-methylphenyl)-1-(oxan-2-yl)pyrazol-4-yl]pyridine is sourced from PubChem (CID 67106076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).