5-(3,4-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]pyrazole

C18H17FN2O2 — CID 21106824

IUPAC5-(3,4-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]pyrazole
SMILESCOc1ccc(-c2ccnn2Cc2ccc(F)cc2)cc1OC
InChIInChI=1S/C18H17FN2O2/c1-22-17-8-5-14(11-18(17)23-2)16-9-10-20-21(16)12-13-3-6-15(19)7-4-13/h3-11H,12H2,1-2H3
InChIKeyYMUYVZUSHDGTOS-UHFFFAOYSA-N
MW312.34 g/mol
LogP3.75
Rot. Bonds5

About 5-(3,4-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]pyrazole

5-(3,4-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]pyrazole (PubChem CID 21106824) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]pyrazole.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]pyrazole
PubChem CID21106824
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC Name5-(3,4-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]pyrazole
SMILESCOc1ccc(-c2ccnn2Cc2ccc(F)cc2)cc1OC
InChIInChI=1S/C18H17FN2O2/c1-22-17-8-5-14(11-18(17)23-2)16-9-10-20-21(16)12-13-3-6-15(19)7-4-13/h3-11H,12H2,1-2H3
InChIKeyYMUYVZUSHDGTOS-UHFFFAOYSA-N
XLogP3.75
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(3,4-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]pyrazole 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 5-(3,4-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]pyrazole?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]pyrazole (CID 21106824) is 5-(3,4-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]pyrazole.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]pyrazole?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]pyrazole is COc1ccc(-c2ccnn2Cc2ccc(F)cc2)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]pyrazole?
The InChIKey is YMUYVZUSHDGTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2/c1-22-17-8-5-14(11-18(17)23-2)16-9-10-20-21(16)12-13-3-6-15(19)7-4-13/h3-11H,12H2,1-2H3.
What are the key properties of 5-(3,4-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]pyrazole?
5-(3,4-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]pyrazole has a molecular weight of 312.34 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]pyrazole is sourced from PubChem (CID 21106824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).