methyl 1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate

C16H15F4N3O2 — CID 162079623

IUPACmethyl 1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate
SMILESCOC(=O)c1c(C)nn2c1N(Cc1cc(F)cc(C(F)(F)F)c1)CC2
InChIInChI=1S/C16H15F4N3O2/c1-9-13(15(24)25-2)14-22(3-4-23(14)21-9)8-10-5-11(16(18,19)20)7-12(17)6-10/h5-7H,3-4,8H2,1-2H3
InChIKeyWFYCDBWVCMOKJR-UHFFFAOYSA-N
MW357.31 g/mol
LogP3.16
Rot. Bonds3

About methyl 1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate

methyl 1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate (PubChem CID 162079623) has the molecular formula C16H15F4N3O2 and a molecular weight of 357.31 g/mol. Its IUPAC name is methyl 1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate
PubChem CID162079623
Molecular FormulaC16H15F4N3O2
Molecular Weight357.31 g/mol
Exact Mass357.11
IUPAC Namemethyl 1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate
SMILESCOC(=O)c1c(C)nn2c1N(Cc1cc(F)cc(C(F)(F)F)c1)CC2
InChIInChI=1S/C16H15F4N3O2/c1-9-13(15(24)25-2)14-22(3-4-23(14)21-9)8-10-5-11(16(18,19)20)7-12(17)6-10/h5-7H,3-4,8H2,1-2H3
InChIKeyWFYCDBWVCMOKJR-UHFFFAOYSA-N
XLogP3.16
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.31
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate 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 methyl 1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate?
The IUPAC name of methyl 1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate (CID 162079623) is methyl 1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate.
What is the SMILES notation for methyl 1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate?
The canonical SMILES for methyl 1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate is COC(=O)c1c(C)nn2c1N(Cc1cc(F)cc(C(F)(F)F)c1)CC2.
What is the InChIKey of methyl 1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate?
The InChIKey is WFYCDBWVCMOKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F4N3O2/c1-9-13(15(24)25-2)14-22(3-4-23(14)21-9)8-10-5-11(16(18,19)20)7-12(17)6-10/h5-7H,3-4,8H2,1-2H3.
What are the key properties of methyl 1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate?
methyl 1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate has a molecular weight of 357.31 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate is sourced from PubChem (CID 162079623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).