4-(2,6-difluorophenyl)-5-ethoxy-1,3-dimethylpyrazole

C13H14F2N2O — CID 140655072

IUPAC4-(2,6-difluorophenyl)-5-ethoxy-1,3-dimethylpyrazole
SMILESCCOc1c(-c2c(F)cccc2F)c(C)nn1C
InChIInChI=1S/C13H14F2N2O/c1-4-18-13-11(8(2)16-17(13)3)12-9(14)6-5-7-10(12)15/h5-7H,4H2,1-3H3
InChIKeyPFNUYDJZWFVMGQ-UHFFFAOYSA-N
MW252.26 g/mol
LogP3.07
Rot. Bonds3

About 4-(2,6-difluorophenyl)-5-ethoxy-1,3-dimethylpyrazole

4-(2,6-difluorophenyl)-5-ethoxy-1,3-dimethylpyrazole (PubChem CID 140655072) has the molecular formula C13H14F2N2O and a molecular weight of 252.26 g/mol. Its IUPAC name is 4-(2,6-difluorophenyl)-5-ethoxy-1,3-dimethylpyrazole.

Molecular Properties

Compound Name4-(2,6-difluorophenyl)-5-ethoxy-1,3-dimethylpyrazole
PubChem CID140655072
Molecular FormulaC13H14F2N2O
Molecular Weight252.26 g/mol
Exact Mass252.11
IUPAC Name4-(2,6-difluorophenyl)-5-ethoxy-1,3-dimethylpyrazole
SMILESCCOc1c(-c2c(F)cccc2F)c(C)nn1C
InChIInChI=1S/C13H14F2N2O/c1-4-18-13-11(8(2)16-17(13)3)12-9(14)6-5-7-10(12)15/h5-7H,4H2,1-3H3
InChIKeyPFNUYDJZWFVMGQ-UHFFFAOYSA-N
XLogP3.07
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(2,6-difluorophenyl)-5-ethoxy-1,3-dimethylpyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2,6-difluorophenyl)-N-ethyl-1,3-dimethylpyrazol-5-amine
CID 140655069
1-[4-(2-chloro-6-fluorophenyl)-1,3-dimethylpyrazol-5-yl]-2-methylbutan-1-amine
CID 140655063
1-[5-(2,3-difluorophenoxy)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 63036962
5-(3-ethoxyphenoxy)-1,3-dimethylpyrazole-4-carbonitrile
CID 55243676
2-(2,6-difluorophenyl)-1,3-difluorobenzene
CID 13068684
4-[1,3-dimethyl-4-(2,4,6-trifluorophenyl)pyrazol-5-yl]oxy-3,5-difluoroaniline
CID 67136016
1-(3-fluoro-2-pyridinyl)-4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperazine
CID 75470973
ethane;1-ethoxy-3-fluoro-2-methylbenzene
CID 143520005
(1R)-1-(2-fluorophenyl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 104860855
[5-(4-ethoxyphenoxy)-1,3-dimethylpyrazol-4-yl]methanol
CID 28964073
2-[5-(methoxymethoxy)-1,3-dimethylpyrazol-4-yl]quinoline
CID 54258111
3-(2,6-difluorophenyl)-1,5-dimethyl-1,2,4-triazole
CID 23544396

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-difluorophenyl)-5-ethoxy-1,3-dimethylpyrazole?
The IUPAC name of 4-(2,6-difluorophenyl)-5-ethoxy-1,3-dimethylpyrazole (CID 140655072) is 4-(2,6-difluorophenyl)-5-ethoxy-1,3-dimethylpyrazole.
What is the SMILES notation for 4-(2,6-difluorophenyl)-5-ethoxy-1,3-dimethylpyrazole?
The canonical SMILES for 4-(2,6-difluorophenyl)-5-ethoxy-1,3-dimethylpyrazole is CCOc1c(-c2c(F)cccc2F)c(C)nn1C.
What is the InChIKey of 4-(2,6-difluorophenyl)-5-ethoxy-1,3-dimethylpyrazole?
The InChIKey is PFNUYDJZWFVMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O/c1-4-18-13-11(8(2)16-17(13)3)12-9(14)6-5-7-10(12)15/h5-7H,4H2,1-3H3.
What are the key properties of 4-(2,6-difluorophenyl)-5-ethoxy-1,3-dimethylpyrazole?
4-(2,6-difluorophenyl)-5-ethoxy-1,3-dimethylpyrazole has a molecular weight of 252.26 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-difluorophenyl)-5-ethoxy-1,3-dimethylpyrazole is sourced from PubChem (CID 140655072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).