1-[(3,4-dichlorophenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid

C14H10Cl2F3N3O2 — CID 129030813

IUPAC1-[(3,4-dichlorophenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid
SMILESO=C(O)c1c(C(F)(F)F)nn2c1N(Cc1ccc(Cl)c(Cl)c1)CC2
InChIInChI=1S/C14H10Cl2F3N3O2/c15-8-2-1-7(5-9(8)16)6-21-3-4-22-12(21)10(13(23)24)11(20-22)14(17,18)19/h1-2,5H,3-4,6H2,(H,23,24)
InChIKeyLGHHGRNLIBRQQJ-UHFFFAOYSA-N
MW380.15 g/mol
LogP3.93
Rot. Bonds3

About 1-[(3,4-dichlorophenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid

1-[(3,4-dichlorophenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid (PubChem CID 129030813) has the molecular formula C14H10Cl2F3N3O2 and a molecular weight of 380.15 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid
PubChem CID129030813
Molecular FormulaC14H10Cl2F3N3O2
Molecular Weight380.15 g/mol
Exact Mass379.01
IUPAC Name1-[(3,4-dichlorophenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid
SMILESO=C(O)c1c(C(F)(F)F)nn2c1N(Cc1ccc(Cl)c(Cl)c1)CC2
InChIInChI=1S/C14H10Cl2F3N3O2/c15-8-2-1-7(5-9(8)16)6-21-3-4-22-12(21)10(13(23)24)11(20-22)14(17,18)19/h1-2,5H,3-4,6H2,(H,23,24)
InChIKeyLGHHGRNLIBRQQJ-UHFFFAOYSA-N
XLogP3.93
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.15
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid?
The IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid (CID 129030813) is 1-[(3,4-dichlorophenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid is O=C(O)c1c(C(F)(F)F)nn2c1N(Cc1ccc(Cl)c(Cl)c1)CC2.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid?
The InChIKey is LGHHGRNLIBRQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2F3N3O2/c15-8-2-1-7(5-9(8)16)6-21-3-4-22-12(21)10(13(23)24)11(20-22)14(17,18)19/h1-2,5H,3-4,6H2,(H,23,24).
What are the key properties of 1-[(3,4-dichlorophenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid?
1-[(3,4-dichlorophenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid has a molecular weight of 380.15 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid is sourced from PubChem (CID 129030813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).