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

C15H14F3N3O2 — CID 129030713

IUPAC1-[(3-methylphenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid
SMILESCc1cccc(CN2CCn3nc(C(F)(F)F)c(C(=O)O)c32)c1
InChIInChI=1S/C15H14F3N3O2/c1-9-3-2-4-10(7-9)8-20-5-6-21-13(20)11(14(22)23)12(19-21)15(16,17)18/h2-4,7H,5-6,8H2,1H3,(H,22,23)
InChIKeyGXDKSMWCVICLJT-UHFFFAOYSA-N
MW325.29 g/mol
LogP2.93
Rot. Bonds3

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

1-[(3-methylphenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid (PubChem CID 129030713) has the molecular formula C15H14F3N3O2 and a molecular weight of 325.29 g/mol. Its IUPAC name is 1-[(3-methylphenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid.

Molecular Properties

Compound Name1-[(3-methylphenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid
PubChem CID129030713
Molecular FormulaC15H14F3N3O2
Molecular Weight325.29 g/mol
Exact Mass325.10
IUPAC Name1-[(3-methylphenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid
SMILESCc1cccc(CN2CCn3nc(C(F)(F)F)c(C(=O)O)c32)c1
InChIInChI=1S/C15H14F3N3O2/c1-9-3-2-4-10(7-9)8-20-5-6-21-13(20)11(14(22)23)12(19-21)15(16,17)18/h2-4,7H,5-6,8H2,1H3,(H,22,23)
InChIKeyGXDKSMWCVICLJT-UHFFFAOYSA-N
XLogP2.93
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(3-methylphenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid 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 1-[(3-methylphenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid?
The IUPAC name of 1-[(3-methylphenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid (CID 129030713) is 1-[(3-methylphenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid.
What is the SMILES notation for 1-[(3-methylphenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid?
The canonical SMILES for 1-[(3-methylphenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid is Cc1cccc(CN2CCn3nc(C(F)(F)F)c(C(=O)O)c32)c1.
What is the InChIKey of 1-[(3-methylphenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid?
The InChIKey is GXDKSMWCVICLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O2/c1-9-3-2-4-10(7-9)8-20-5-6-21-13(20)11(14(22)23)12(19-21)15(16,17)18/h2-4,7H,5-6,8H2,1H3,(H,22,23).
What are the key properties of 1-[(3-methylphenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid?
1-[(3-methylphenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid has a molecular weight of 325.29 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylphenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid is sourced from PubChem (CID 129030713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).