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

C20H20FN3O — CID 67106062

IUPAC4-[5-(4-fluoro-2-methylphenyl)-1-(oxan-2-yl)pyrazol-4-yl]pyridine
SMILESCc1cc(F)ccc1-c1c(-c2ccncc2)cnn1C1CCCCO1
InChIInChI=1S/C20H20FN3O/c1-14-12-16(21)5-6-17(14)20-18(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
InChIKeyDMKBGTCNZKQQSF-UHFFFAOYSA-N
MW337.40 g/mol
LogP4.76
Rot. Bonds3

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

4-[5-(4-fluoro-2-methylphenyl)-1-(oxan-2-yl)pyrazol-4-yl]pyridine (PubChem CID 67106062) has the molecular formula C20H20FN3O and a molecular weight of 337.40 g/mol. Its IUPAC name is 4-[5-(4-fluoro-2-methylphenyl)-1-(oxan-2-yl)pyrazol-4-yl]pyridine.

Molecular Properties

Compound Name4-[5-(4-fluoro-2-methylphenyl)-1-(oxan-2-yl)pyrazol-4-yl]pyridine
PubChem CID67106062
Molecular FormulaC20H20FN3O
Molecular Weight337.40 g/mol
Exact Mass337.16
IUPAC Name4-[5-(4-fluoro-2-methylphenyl)-1-(oxan-2-yl)pyrazol-4-yl]pyridine
SMILESCc1cc(F)ccc1-c1c(-c2ccncc2)cnn1C1CCCCO1
InChIInChI=1S/C20H20FN3O/c1-14-12-16(21)5-6-17(14)20-18(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
InChIKeyDMKBGTCNZKQQSF-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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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluoro-2-methylphenyl)-1-(oxan-2-yl)pyrazol-4-yl]pyridine?
The IUPAC name of 4-[5-(4-fluoro-2-methylphenyl)-1-(oxan-2-yl)pyrazol-4-yl]pyridine (CID 67106062) is 4-[5-(4-fluoro-2-methylphenyl)-1-(oxan-2-yl)pyrazol-4-yl]pyridine.
What is the SMILES notation for 4-[5-(4-fluoro-2-methylphenyl)-1-(oxan-2-yl)pyrazol-4-yl]pyridine?
The canonical SMILES for 4-[5-(4-fluoro-2-methylphenyl)-1-(oxan-2-yl)pyrazol-4-yl]pyridine is Cc1cc(F)ccc1-c1c(-c2ccncc2)cnn1C1CCCCO1.
What is the InChIKey of 4-[5-(4-fluoro-2-methylphenyl)-1-(oxan-2-yl)pyrazol-4-yl]pyridine?
The InChIKey is DMKBGTCNZKQQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O/c1-14-12-16(21)5-6-17(14)20-18(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-2-methylphenyl)-1-(oxan-2-yl)pyrazol-4-yl]pyridine?
4-[5-(4-fluoro-2-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-2-methylphenyl)-1-(oxan-2-yl)pyrazol-4-yl]pyridine is sourced from PubChem (CID 67106062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).