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

C15H12Cl2F3N3O2 — CID 129030737

IUPACmethyl 1-[(3,5-dichlorophenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate
SMILESCOC(=O)c1c(C(F)(F)F)nn2c1N(Cc1cc(Cl)cc(Cl)c1)CC2
InChIInChI=1S/C15H12Cl2F3N3O2/c1-25-14(24)11-12(15(18,19)20)21-23-3-2-22(13(11)23)7-8-4-9(16)6-10(17)5-8/h4-6H,2-3,7H2,1H3
InChIKeyVWBLMUYOIAUFGK-UHFFFAOYSA-N
MW394.18 g/mol
LogP4.02
Rot. Bonds3

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

methyl 1-[(3,5-dichlorophenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate (PubChem CID 129030737) has the molecular formula C15H12Cl2F3N3O2 and a molecular weight of 394.18 g/mol. Its IUPAC name is methyl 1-[(3,5-dichlorophenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(3,5-dichlorophenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate
PubChem CID129030737
Molecular FormulaC15H12Cl2F3N3O2
Molecular Weight394.18 g/mol
Exact Mass393.03
IUPAC Namemethyl 1-[(3,5-dichlorophenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate
SMILESCOC(=O)c1c(C(F)(F)F)nn2c1N(Cc1cc(Cl)cc(Cl)c1)CC2
InChIInChI=1S/C15H12Cl2F3N3O2/c1-25-14(24)11-12(15(18,19)20)21-23-3-2-22(13(11)23)7-8-4-9(16)6-10(17)5-8/h4-6H,2-3,7H2,1H3
InChIKeyVWBLMUYOIAUFGK-UHFFFAOYSA-N
XLogP4.02
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.18
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 1-[(3,5-dichlorophenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate with MolForge

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Related Compounds

ethyl 5-amino-1-(3-chlorobenzyl)-3-methyl-1H-pyrazole-4-carboxylate
CID 2864438
ethyl (2R)-2-(4-chlorophenyl)-6-ethyl-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxylate
CID 136790599
Methyl 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-(dimethylamino)-3-ethylpyrazole-4-carboxylate
CID 53917883
Methyl 6-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[1,2-b]pyrazole-7-carboxylate
CID 129030653
Methyl 1-[(2-fluorophenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[1,2-b]pyrazole-7-carboxylate
CID 129030681
6-Methyl-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[1,2-b]pyrazole-7-carboxylic acid
CID 129030684
Methyl 6-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[1,2-b]pyrazole-7-carboxylate
CID 129030699
1-[(3-Methylphenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[1,2-b]pyrazole-7-carboxylic acid
CID 129030713
Ethyl 6-ethenyl-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[1,2-b]pyrazole-7-carboxylate
CID 129030718
Methyl 1-[(2-chlorophenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[1,2-b]pyrazole-7-carboxylate
CID 129030725
1-[(4-Chlorophenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[1,2-b]pyrazole-7-carboxylic acid
CID 129030728
Methyl 1-[(3,4-dichlorophenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[1,2-b]pyrazole-7-carboxylate
CID 129030746

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(3,5-dichlorophenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate?
The IUPAC name of methyl 1-[(3,5-dichlorophenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate (CID 129030737) is methyl 1-[(3,5-dichlorophenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate.
What is the SMILES notation for methyl 1-[(3,5-dichlorophenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate?
The canonical SMILES for methyl 1-[(3,5-dichlorophenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate is COC(=O)c1c(C(F)(F)F)nn2c1N(Cc1cc(Cl)cc(Cl)c1)CC2.
What is the InChIKey of methyl 1-[(3,5-dichlorophenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate?
The InChIKey is VWBLMUYOIAUFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2F3N3O2/c1-25-14(24)11-12(15(18,19)20)21-23-3-2-22(13(11)23)7-8-4-9(16)6-10(17)5-8/h4-6H,2-3,7H2,1H3.
What are the key properties of methyl 1-[(3,5-dichlorophenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate?
methyl 1-[(3,5-dichlorophenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate has a molecular weight of 394.18 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(3,5-dichlorophenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate is sourced from PubChem (CID 129030737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).