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

C20H22FN3 — CID 138971974

IUPAC2-(2,2-dimethylpropyl)-4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyridine
SMILESCn1cc(-c2ccnc(CC(C)(C)C)c2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C20H22FN3/c1-20(2,3)12-17-11-15(9-10-22-17)18-13-24(4)23-19(18)14-5-7-16(21)8-6-14/h5-11,13H,12H2,1-4H3
InChIKeyQYBKMXVMNPPQKA-UHFFFAOYSA-N
MW323.42 g/mol
LogP4.88
Rot. Bonds3

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

2-(2,2-dimethylpropyl)-4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyridine (PubChem CID 138971974) has the molecular formula C20H22FN3 and a molecular weight of 323.42 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyridine.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyridine
PubChem CID138971974
Molecular FormulaC20H22FN3
Molecular Weight323.42 g/mol
Exact Mass323.18
IUPAC Name2-(2,2-dimethylpropyl)-4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyridine
SMILESCn1cc(-c2ccnc(CC(C)(C)C)c2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C20H22FN3/c1-20(2,3)12-17-11-15(9-10-22-17)18-13-24(4)23-19(18)14-5-7-16(21)8-6-14/h5-11,13H,12H2,1-4H3
InChIKeyQYBKMXVMNPPQKA-UHFFFAOYSA-N
XLogP4.88
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2,2-dimethylpropyl)-4-[3-(4-fluorophenyl)-1-methylpyrazol-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

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyridine?
The IUPAC name of 2-(2,2-dimethylpropyl)-4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyridine (CID 138971974) is 2-(2,2-dimethylpropyl)-4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyridine.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyridine?
The canonical SMILES for 2-(2,2-dimethylpropyl)-4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyridine is Cn1cc(-c2ccnc(CC(C)(C)C)c2)c(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-(2,2-dimethylpropyl)-4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyridine?
The InChIKey is QYBKMXVMNPPQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3/c1-20(2,3)12-17-11-15(9-10-22-17)18-13-24(4)23-19(18)14-5-7-16(21)8-6-14/h5-11,13H,12H2,1-4H3.
What are the key properties of 2-(2,2-dimethylpropyl)-4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyridine?
2-(2,2-dimethylpropyl)-4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyridine has a molecular weight of 323.42 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyridine is sourced from PubChem (CID 138971974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).