4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-(oxan-4-yl)pyridine

C20H20FN3O — CID 154713307

IUPAC4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-(oxan-4-yl)pyridine
SMILESCn1cc(-c2ccnc(C3CCOCC3)c2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C20H20FN3O/c1-24-13-18(20(23-24)15-2-4-17(21)5-3-15)16-6-9-22-19(12-16)14-7-10-25-11-8-14/h2-6,9,12-14H,7-8,10-11H2,1H3
InChIKeyHKKNDFCPKXVFSC-UHFFFAOYSA-N
MW337.40 g/mol
LogP4.18
Rot. Bonds3

About 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-(oxan-4-yl)pyridine

4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-(oxan-4-yl)pyridine (PubChem CID 154713307) has the molecular formula C20H20FN3O and a molecular weight of 337.40 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-(oxan-4-yl)pyridine.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-(oxan-4-yl)pyridine
PubChem CID154713307
Molecular FormulaC20H20FN3O
Molecular Weight337.40 g/mol
Exact Mass337.16
IUPAC Name4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-(oxan-4-yl)pyridine
SMILESCn1cc(-c2ccnc(C3CCOCC3)c2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C20H20FN3O/c1-24-13-18(20(23-24)15-2-4-17(21)5-3-15)16-6-9-22-19(12-16)14-7-10-25-11-8-14/h2-6,9,12-14H,7-8,10-11H2,1H3
InChIKeyHKKNDFCPKXVFSC-UHFFFAOYSA-N
XLogP4.18
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 ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-(oxan-4-yl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
6-Fluoro-2-(4-fluorophenyl)-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine
CID 9944397
1-{4-[3-(4-Fluorophenyl)-1-Methyl-1h-Pyrazol-4-Yl]pyridin-2-Yl}-N-Methylmethanamine
CID 71710904
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-Fluoro-2-(4-fluorophenyl)-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine
CID 9879605
(R)-[(4aR,5S)-1-(4-Fluoro-phenyl)-4a-methyl-4,4a,5,6,7,8-hexahydro-1H-benzo[f]indazol-5-yl]-pyridin-4-yl-methanol
CID 10452933
4-[3-(4-Fluorophenyl)-1-methyl-1h-pyrazol-4-yl]pyridine
CID 22037373
4-(3-(4-fluorophenyl)-5-(1-methylpiperidin-3-yl)-1H-pyrazol-4-yl)pyridine
CID 22037660

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-(oxan-4-yl)pyridine?
The IUPAC name of 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-(oxan-4-yl)pyridine (CID 154713307) is 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-(oxan-4-yl)pyridine.
What is the SMILES notation for 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-(oxan-4-yl)pyridine?
The canonical SMILES for 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-(oxan-4-yl)pyridine is Cn1cc(-c2ccnc(C3CCOCC3)c2)c(-c2ccc(F)cc2)n1.
What is the InChIKey of 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-(oxan-4-yl)pyridine?
The InChIKey is HKKNDFCPKXVFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O/c1-24-13-18(20(23-24)15-2-4-17(21)5-3-15)16-6-9-22-19(12-16)14-7-10-25-11-8-14/h2-6,9,12-14H,7-8,10-11H2,1H3.
What are the key properties of 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-(oxan-4-yl)pyridine?
4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-(oxan-4-yl)pyridine has a molecular weight of 337.40 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-(oxan-4-yl)pyridine is sourced from PubChem (CID 154713307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).