methyl 1-[(4-chlorophenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate

C15H13ClF3N3O2 — CID 129030894

IUPACmethyl 1-[(4-chlorophenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate
SMILESCOC(=O)c1c(C(F)(F)F)nn2c1N(Cc1ccc(Cl)cc1)CC2
InChIInChI=1S/C15H13ClF3N3O2/c1-24-14(23)11-12(15(17,18)19)20-22-7-6-21(13(11)22)8-9-2-4-10(16)5-3-9/h2-5H,6-8H2,1H3
InChIKeyGFPDRCMARJEVSA-UHFFFAOYSA-N
MW359.74 g/mol
LogP3.36
Rot. Bonds3

About methyl 1-[(4-chlorophenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate

methyl 1-[(4-chlorophenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate (PubChem CID 129030894) has the molecular formula C15H13ClF3N3O2 and a molecular weight of 359.74 g/mol. Its IUPAC name is methyl 1-[(4-chlorophenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(4-chlorophenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate
PubChem CID129030894
Molecular FormulaC15H13ClF3N3O2
Molecular Weight359.74 g/mol
Exact Mass359.06
IUPAC Namemethyl 1-[(4-chlorophenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate
SMILESCOC(=O)c1c(C(F)(F)F)nn2c1N(Cc1ccc(Cl)cc1)CC2
InChIInChI=1S/C15H13ClF3N3O2/c1-24-14(23)11-12(15(17,18)19)20-22-7-6-21(13(11)22)8-9-2-4-10(16)5-3-9/h2-5H,6-8H2,1H3
InChIKeyGFPDRCMARJEVSA-UHFFFAOYSA-N
XLogP3.36
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.74
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 1-[(4-chlorophenyl)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 5-(4-chlorophenyl)-2-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 2884602
ethyl (2R)-2-(4-chlorophenyl)-6-ethyl-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxylate
CID 136790599
Methyl 6-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[1,2-b]pyrazole-7-carboxylate
CID 129030653
6-(Trifluoromethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[1,2-b]pyrazole-7-carboxylic acid
CID 129030654
6-Ethenyl-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[1,2-b]pyrazole-7-carboxylic acid
CID 129030667
Methyl 1-[(2-fluorophenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[1,2-b]pyrazole-7-carboxylate
CID 129030681
4-[(4-chlorophenyl)methyl]-2-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 129030682
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

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(4-chlorophenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate?
The IUPAC name of methyl 1-[(4-chlorophenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate (CID 129030894) is methyl 1-[(4-chlorophenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate.
What is the SMILES notation for methyl 1-[(4-chlorophenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate?
The canonical SMILES for methyl 1-[(4-chlorophenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate is COC(=O)c1c(C(F)(F)F)nn2c1N(Cc1ccc(Cl)cc1)CC2.
What is the InChIKey of methyl 1-[(4-chlorophenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate?
The InChIKey is GFPDRCMARJEVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3N3O2/c1-24-14(23)11-12(15(17,18)19)20-22-7-6-21(13(11)22)8-9-2-4-10(16)5-3-9/h2-5H,6-8H2,1H3.
What are the key properties of methyl 1-[(4-chlorophenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate?
methyl 1-[(4-chlorophenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate has a molecular weight of 359.74 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(4-chlorophenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate is sourced from PubChem (CID 129030894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).