2-[5-(2,5-dimethylthiophen-3-yl)-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyridine

C21H18FN3S — CID 56598258

IUPAC2-[5-(2,5-dimethylthiophen-3-yl)-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyridine
SMILESCc1cc(-c2cc(-c3ccccn3)nn2Cc2ccccc2F)c(C)s1
InChIInChI=1S/C21H18FN3S/c1-14-11-17(15(2)26-14)21-12-20(19-9-5-6-10-23-19)24-25(21)13-16-7-3-4-8-18(16)22/h3-12H,13H2,1-2H3
InChIKeyLHHIINCAJIVKHY-UHFFFAOYSA-N
MW363.46 g/mol
LogP5.48
Rot. Bonds4

About 2-[5-(2,5-dimethylthiophen-3-yl)-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyridine

2-[5-(2,5-dimethylthiophen-3-yl)-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyridine (PubChem CID 56598258) has the molecular formula C21H18FN3S and a molecular weight of 363.46 g/mol. Its IUPAC name is 2-[5-(2,5-dimethylthiophen-3-yl)-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyridine.

Molecular Properties

Compound Name2-[5-(2,5-dimethylthiophen-3-yl)-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyridine
PubChem CID56598258
Molecular FormulaC21H18FN3S
Molecular Weight363.46 g/mol
Exact Mass363.12
IUPAC Name2-[5-(2,5-dimethylthiophen-3-yl)-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyridine
SMILESCc1cc(-c2cc(-c3ccccn3)nn2Cc2ccccc2F)c(C)s1
InChIInChI=1S/C21H18FN3S/c1-14-11-17(15(2)26-14)21-12-20(19-9-5-6-10-23-19)24-25(21)13-16-7-3-4-8-18(16)22/h3-12H,13H2,1-2H3
InChIKeyLHHIINCAJIVKHY-UHFFFAOYSA-N
XLogP5.48
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.46
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[5-(2,5-dimethylthiophen-3-yl)-1-[(2-fluorophenyl)methyl]pyrazol-3-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-[5-(2,5-dimethylthiophen-3-yl)-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyridine?
The IUPAC name of 2-[5-(2,5-dimethylthiophen-3-yl)-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyridine (CID 56598258) is 2-[5-(2,5-dimethylthiophen-3-yl)-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyridine.
What is the SMILES notation for 2-[5-(2,5-dimethylthiophen-3-yl)-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyridine?
The canonical SMILES for 2-[5-(2,5-dimethylthiophen-3-yl)-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyridine is Cc1cc(-c2cc(-c3ccccn3)nn2Cc2ccccc2F)c(C)s1.
What is the InChIKey of 2-[5-(2,5-dimethylthiophen-3-yl)-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyridine?
The InChIKey is LHHIINCAJIVKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3S/c1-14-11-17(15(2)26-14)21-12-20(19-9-5-6-10-23-19)24-25(21)13-16-7-3-4-8-18(16)22/h3-12H,13H2,1-2H3.
What are the key properties of 2-[5-(2,5-dimethylthiophen-3-yl)-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyridine?
2-[5-(2,5-dimethylthiophen-3-yl)-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyridine has a molecular weight of 363.46 g/mol, XLogP of 5.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,5-dimethylthiophen-3-yl)-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyridine is sourced from PubChem (CID 56598258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).