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

C15H13ClF3N3O2 — CID 129030725

IUPACmethyl 1-[(2-chlorophenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate
SMILESCOC(=O)c1c(C(F)(F)F)nn2c1N(Cc1ccccc1Cl)CC2
InChIInChI=1S/C15H13ClF3N3O2/c1-24-14(23)11-12(15(17,18)19)20-22-7-6-21(13(11)22)8-9-4-2-3-5-10(9)16/h2-5H,6-8H2,1H3
InChIKeyFYZYITMDSZCPKM-UHFFFAOYSA-N
MW359.74 g/mol
LogP3.36
Rot. Bonds3

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

methyl 1-[(2-chlorophenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate (PubChem CID 129030725) has the molecular formula C15H13ClF3N3O2 and a molecular weight of 359.74 g/mol. Its IUPAC name is methyl 1-[(2-chlorophenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(2-chlorophenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate
PubChem CID129030725
Molecular FormulaC15H13ClF3N3O2
Molecular Weight359.74 g/mol
Exact Mass359.06
IUPAC Namemethyl 1-[(2-chlorophenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate
SMILESCOC(=O)c1c(C(F)(F)F)nn2c1N(Cc1ccccc1Cl)CC2
InChIInChI=1S/C15H13ClF3N3O2/c1-24-14(23)11-12(15(17,18)19)20-22-7-6-21(13(11)22)8-9-4-2-3-5-10(9)16/h2-5H,6-8H2,1H3
InChIKeyFYZYITMDSZCPKM-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

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[(2-chlorophenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate?
The IUPAC name of methyl 1-[(2-chlorophenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate (CID 129030725) is methyl 1-[(2-chlorophenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate.
What is the SMILES notation for methyl 1-[(2-chlorophenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate?
The canonical SMILES for methyl 1-[(2-chlorophenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate is COC(=O)c1c(C(F)(F)F)nn2c1N(Cc1ccccc1Cl)CC2.
What is the InChIKey of methyl 1-[(2-chlorophenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate?
The InChIKey is FYZYITMDSZCPKM-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)8-9-4-2-3-5-10(9)16/h2-5H,6-8H2,1H3.
What are the key properties of methyl 1-[(2-chlorophenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate?
methyl 1-[(2-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-[(2-chlorophenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate is sourced from PubChem (CID 129030725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).