5-ethyl-3-(4-fluoro-2-methylphenyl)-1-methylpyrazole

C13H15FN2 — CID 140621696

IUPAC5-ethyl-3-(4-fluoro-2-methylphenyl)-1-methylpyrazole
SMILESCCc1cc(-c2ccc(F)cc2C)nn1C
InChIInChI=1S/C13H15FN2/c1-4-11-8-13(15-16(11)3)12-6-5-10(14)7-9(12)2/h5-8H,4H2,1-3H3
InChIKeyRJQHOUZMBPALAN-UHFFFAOYSA-N
MW218.27 g/mol
LogP3.10
Rot. Bonds2

About 5-ethyl-3-(4-fluoro-2-methylphenyl)-1-methylpyrazole

5-ethyl-3-(4-fluoro-2-methylphenyl)-1-methylpyrazole (PubChem CID 140621696) has the molecular formula C13H15FN2 and a molecular weight of 218.27 g/mol. Its IUPAC name is 5-ethyl-3-(4-fluoro-2-methylphenyl)-1-methylpyrazole.

Molecular Properties

Compound Name5-ethyl-3-(4-fluoro-2-methylphenyl)-1-methylpyrazole
PubChem CID140621696
Molecular FormulaC13H15FN2
Molecular Weight218.27 g/mol
Exact Mass218.12
IUPAC Name5-ethyl-3-(4-fluoro-2-methylphenyl)-1-methylpyrazole
SMILESCCc1cc(-c2ccc(F)cc2C)nn1C
InChIInChI=1S/C13H15FN2/c1-4-11-8-13(15-16(11)3)12-6-5-10(14)7-9(12)2/h5-8H,4H2,1-3H3
InChIKeyRJQHOUZMBPALAN-UHFFFAOYSA-N
XLogP3.10
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.27
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-fluoro-2-methylphenyl)-1-methylpyrazole
CID 140621702
3-(2-chlorophenyl)-5-ethyl-1-methylpyrazole
CID 70791545
1-(4-bromo-2-methylphenyl)-4-fluoro-2-methylbenzene
CID 164892527
[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]methanol
CID 115093183
N-ethyl-6-(4-fluoro-2-methylphenyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106769220
3-butyl-5-(4-fluoro-2-methylphenyl)imidazol-4-amine
CID 62125231
2-ethyl-6-(4-fluoro-2-methylphenyl)-5-methyl-1H-pyrimidine-4-thione
CID 106514948
2,3-diethyl-5-(4-fluoro-2-methylphenyl)imidazol-4-amine
CID 62226570
1-[4-(5-ethyl-1-methylpyrazol-3-yl)phenyl]-2,2,2-trifluoroethanone
CID 70791404
2-(2,5-dimethylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)ethanone
CID 81274086
ethane;4-fluoro-1-(5-fluoro-2-methylphenyl)-2-methylbenzene
CID 143449254
ethane;1-ethyl-4-fluoro-2-methylbenzene
CID 143471886

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-(4-fluoro-2-methylphenyl)-1-methylpyrazole?
The IUPAC name of 5-ethyl-3-(4-fluoro-2-methylphenyl)-1-methylpyrazole (CID 140621696) is 5-ethyl-3-(4-fluoro-2-methylphenyl)-1-methylpyrazole.
What is the SMILES notation for 5-ethyl-3-(4-fluoro-2-methylphenyl)-1-methylpyrazole?
The canonical SMILES for 5-ethyl-3-(4-fluoro-2-methylphenyl)-1-methylpyrazole is CCc1cc(-c2ccc(F)cc2C)nn1C.
What is the InChIKey of 5-ethyl-3-(4-fluoro-2-methylphenyl)-1-methylpyrazole?
The InChIKey is RJQHOUZMBPALAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2/c1-4-11-8-13(15-16(11)3)12-6-5-10(14)7-9(12)2/h5-8H,4H2,1-3H3.
What are the key properties of 5-ethyl-3-(4-fluoro-2-methylphenyl)-1-methylpyrazole?
5-ethyl-3-(4-fluoro-2-methylphenyl)-1-methylpyrazole has a molecular weight of 218.27 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-(4-fluoro-2-methylphenyl)-1-methylpyrazole is sourced from PubChem (CID 140621696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).