ethyl 5-(3,3-difluoro-2-methylcyclobutyl)-1-(4-fluorophenyl)pyrazole-3-carboxylate

C17H17F3N2O2 — CID 178087940

IUPACethyl 5-(3,3-difluoro-2-methylcyclobutyl)-1-(4-fluorophenyl)pyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(C2CC(F)(F)C2C)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C17H17F3N2O2/c1-3-24-16(23)14-8-15(13-9-17(19,20)10(13)2)22(21-14)12-6-4-11(18)5-7-12/h4-8,10,13H,3,9H2,1-2H3
InChIKeyKEFKAELDRLZHGF-UHFFFAOYSA-N
MW338.33 g/mol
LogP3.95
Rot. Bonds4

About ethyl 5-(3,3-difluoro-2-methylcyclobutyl)-1-(4-fluorophenyl)pyrazole-3-carboxylate

ethyl 5-(3,3-difluoro-2-methylcyclobutyl)-1-(4-fluorophenyl)pyrazole-3-carboxylate (PubChem CID 178087940) has the molecular formula C17H17F3N2O2 and a molecular weight of 338.33 g/mol. Its IUPAC name is ethyl 5-(3,3-difluoro-2-methylcyclobutyl)-1-(4-fluorophenyl)pyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(3,3-difluoro-2-methylcyclobutyl)-1-(4-fluorophenyl)pyrazole-3-carboxylate
PubChem CID178087940
Molecular FormulaC17H17F3N2O2
Molecular Weight338.33 g/mol
Exact Mass338.12
IUPAC Nameethyl 5-(3,3-difluoro-2-methylcyclobutyl)-1-(4-fluorophenyl)pyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(C2CC(F)(F)C2C)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C17H17F3N2O2/c1-3-24-16(23)14-8-15(13-9-17(19,20)10(13)2)22(21-14)12-6-4-11(18)5-7-12/h4-8,10,13H,3,9H2,1-2H3
InChIKeyKEFKAELDRLZHGF-UHFFFAOYSA-N
XLogP3.95
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 5-(3,3-difluoro-2-methylcyclobutyl)-1-(4-fluorophenyl)pyrazole-3-carboxylate 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

ethyl 5-[(2R)-3,3-difluoro-2-methylazetidin-1-yl]-1-(4-fluorophenyl)pyrazole-3-carboxylate
CID 178087770
ethyl 5-fluoro-1-(4-fluorophenyl)pyrazole-3-carboxylate
CID 53429376
ethyl 5-[(2R,3S)-2,3-dimethylazetidin-1-yl]-1-(4-fluorophenyl)pyrazole-3-carboxylate
CID 178087788
ethyl 1-(4-fluorophenyl)-5-phenylpyrazole-3-carboxylate
CID 11370315
ethyl 4-amino-5-[(2R)-3,3-difluoro-2-methylazetidin-1-yl]-1-(4-fluorophenyl)pyrazole-3-carboxylate
CID 178088211
ethyl 1-(4-fluorophenyl)-5-thiophen-2-ylpyrazole-3-carboxylate
CID 169498735
ethyl 1-(4-fluorophenyl)-5-(5-methylsulfonylthiophen-2-yl)pyrazole-3-carboxylate
CID 10548663
ethyl 5-chloro-1-(4-chlorophenyl)pyrazole-3-carboxylate
CID 139926661
ethyl 1-[4-[cyclohexyl(ethyl)carbamoyl]phenyl]-5-cyclopropylpyrazole-3-carboxylate
CID 46089820
ethyl 1-(4-fluorophenyl)-5-[4-(2-oxoethylamino)phenyl]pyrazole-3-carboxylate
CID 19886165
ethyl 6-(2,2-dimethylpropanoyl)-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxylate
CID 100786062
ethyl 5-methyl-1-phenylpyrazole-3-carboxylate
CID 10900438

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(3,3-difluoro-2-methylcyclobutyl)-1-(4-fluorophenyl)pyrazole-3-carboxylate?
The IUPAC name of ethyl 5-(3,3-difluoro-2-methylcyclobutyl)-1-(4-fluorophenyl)pyrazole-3-carboxylate (CID 178087940) is ethyl 5-(3,3-difluoro-2-methylcyclobutyl)-1-(4-fluorophenyl)pyrazole-3-carboxylate.
What is the SMILES notation for ethyl 5-(3,3-difluoro-2-methylcyclobutyl)-1-(4-fluorophenyl)pyrazole-3-carboxylate?
The canonical SMILES for ethyl 5-(3,3-difluoro-2-methylcyclobutyl)-1-(4-fluorophenyl)pyrazole-3-carboxylate is CCOC(=O)c1cc(C2CC(F)(F)C2C)n(-c2ccc(F)cc2)n1.
What is the InChIKey of ethyl 5-(3,3-difluoro-2-methylcyclobutyl)-1-(4-fluorophenyl)pyrazole-3-carboxylate?
The InChIKey is KEFKAELDRLZHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O2/c1-3-24-16(23)14-8-15(13-9-17(19,20)10(13)2)22(21-14)12-6-4-11(18)5-7-12/h4-8,10,13H,3,9H2,1-2H3.
What are the key properties of ethyl 5-(3,3-difluoro-2-methylcyclobutyl)-1-(4-fluorophenyl)pyrazole-3-carboxylate?
ethyl 5-(3,3-difluoro-2-methylcyclobutyl)-1-(4-fluorophenyl)pyrazole-3-carboxylate has a molecular weight of 338.33 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(3,3-difluoro-2-methylcyclobutyl)-1-(4-fluorophenyl)pyrazole-3-carboxylate is sourced from PubChem (CID 178087940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).