4-ethyl-3-(2-fluoro-4,5-dimethylphenyl)-1-methylpyrazole-5-carbonitrile

C15H16FN3 — CID 20718505

IUPAC4-ethyl-3-(2-fluoro-4,5-dimethylphenyl)-1-methylpyrazole-5-carbonitrile
SMILESCCc1c(-c2cc(C)c(C)cc2F)nn(C)c1C#N
InChIInChI=1S/C15H16FN3/c1-5-11-14(8-17)19(4)18-15(11)12-6-9(2)10(3)7-13(12)16/h6-7H,5H2,1-4H3
InChIKeyCIBJXHNERFPGPI-UHFFFAOYSA-N
MW257.31 g/mol
LogP3.28
Rot. Bonds2

About 4-ethyl-3-(2-fluoro-4,5-dimethylphenyl)-1-methylpyrazole-5-carbonitrile

4-ethyl-3-(2-fluoro-4,5-dimethylphenyl)-1-methylpyrazole-5-carbonitrile (PubChem CID 20718505) has the molecular formula C15H16FN3 and a molecular weight of 257.31 g/mol. Its IUPAC name is 4-ethyl-3-(2-fluoro-4,5-dimethylphenyl)-1-methylpyrazole-5-carbonitrile.

Molecular Properties

Compound Name4-ethyl-3-(2-fluoro-4,5-dimethylphenyl)-1-methylpyrazole-5-carbonitrile
PubChem CID20718505
Molecular FormulaC15H16FN3
Molecular Weight257.31 g/mol
Exact Mass257.13
IUPAC Name4-ethyl-3-(2-fluoro-4,5-dimethylphenyl)-1-methylpyrazole-5-carbonitrile
SMILESCCc1c(-c2cc(C)c(C)cc2F)nn(C)c1C#N
InChIInChI=1S/C15H16FN3/c1-5-11-14(8-17)19(4)18-15(11)12-6-9(2)10(3)7-13(12)16/h6-7H,5H2,1-4H3
InChIKeyCIBJXHNERFPGPI-UHFFFAOYSA-N
XLogP3.28
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-ethyl-3-(2-fluoro-4,5-dimethylphenyl)-1-methylpyrazole-5-carbonitrile 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 4-ethyl-3-(2-fluoro-4,5-dimethylphenyl)-1-methylpyrazole-5-carbonitrile?
The IUPAC name of 4-ethyl-3-(2-fluoro-4,5-dimethylphenyl)-1-methylpyrazole-5-carbonitrile (CID 20718505) is 4-ethyl-3-(2-fluoro-4,5-dimethylphenyl)-1-methylpyrazole-5-carbonitrile.
What is the SMILES notation for 4-ethyl-3-(2-fluoro-4,5-dimethylphenyl)-1-methylpyrazole-5-carbonitrile?
The canonical SMILES for 4-ethyl-3-(2-fluoro-4,5-dimethylphenyl)-1-methylpyrazole-5-carbonitrile is CCc1c(-c2cc(C)c(C)cc2F)nn(C)c1C#N.
What is the InChIKey of 4-ethyl-3-(2-fluoro-4,5-dimethylphenyl)-1-methylpyrazole-5-carbonitrile?
The InChIKey is CIBJXHNERFPGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3/c1-5-11-14(8-17)19(4)18-15(11)12-6-9(2)10(3)7-13(12)16/h6-7H,5H2,1-4H3.
What are the key properties of 4-ethyl-3-(2-fluoro-4,5-dimethylphenyl)-1-methylpyrazole-5-carbonitrile?
4-ethyl-3-(2-fluoro-4,5-dimethylphenyl)-1-methylpyrazole-5-carbonitrile has a molecular weight of 257.31 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-(2-fluoro-4,5-dimethylphenyl)-1-methylpyrazole-5-carbonitrile is sourced from PubChem (CID 20718505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).