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

C14H11ClF3N3O2 — CID 129030760

IUPAC1-[(2-chlorophenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid
SMILESO=C(O)c1c(C(F)(F)F)nn2c1N(Cc1ccccc1Cl)CC2
InChIInChI=1S/C14H11ClF3N3O2/c15-9-4-2-1-3-8(9)7-20-5-6-21-12(20)10(13(22)23)11(19-21)14(16,17)18/h1-4H,5-7H2,(H,22,23)
InChIKeyWXXNRPOGWYCDTQ-UHFFFAOYSA-N
MW345.71 g/mol
LogP3.27
Rot. Bonds3

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

1-[(2-chlorophenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid (PubChem CID 129030760) has the molecular formula C14H11ClF3N3O2 and a molecular weight of 345.71 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid
PubChem CID129030760
Molecular FormulaC14H11ClF3N3O2
Molecular Weight345.71 g/mol
Exact Mass345.05
IUPAC Name1-[(2-chlorophenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid
SMILESO=C(O)c1c(C(F)(F)F)nn2c1N(Cc1ccccc1Cl)CC2
InChIInChI=1S/C14H11ClF3N3O2/c15-9-4-2-1-3-8(9)7-20-5-6-21-12(20)10(13(22)23)11(19-21)14(16,17)18/h1-4H,5-7H2,(H,22,23)
InChIKeyWXXNRPOGWYCDTQ-UHFFFAOYSA-N
XLogP3.27
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.71
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid (CID 129030760) is 1-[(2-chlorophenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid is O=C(O)c1c(C(F)(F)F)nn2c1N(Cc1ccccc1Cl)CC2.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid?
The InChIKey is WXXNRPOGWYCDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3N3O2/c15-9-4-2-1-3-8(9)7-20-5-6-21-12(20)10(13(22)23)11(19-21)14(16,17)18/h1-4H,5-7H2,(H,22,23).
What are the key properties of 1-[(2-chlorophenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid?
1-[(2-chlorophenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid has a molecular weight of 345.71 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid is sourced from PubChem (CID 129030760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).