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

C15H14F3N3O2 — CID 129030684

IUPAC6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid
SMILESCc1nn2c(c1C(=O)O)N(Cc1ccc(C(F)(F)F)cc1)CC2
InChIInChI=1S/C15H14F3N3O2/c1-9-12(14(22)23)13-20(6-7-21(13)19-9)8-10-2-4-11(5-3-10)15(16,17)18/h2-5H,6-8H2,1H3,(H,22,23)
InChIKeyNUKQYMNFOWCCOR-UHFFFAOYSA-N
MW325.29 g/mol
LogP2.93
Rot. Bonds3

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

6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid (PubChem CID 129030684) has the molecular formula C15H14F3N3O2 and a molecular weight of 325.29 g/mol. Its IUPAC name is 6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid.

Molecular Properties

Compound Name6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid
PubChem CID129030684
Molecular FormulaC15H14F3N3O2
Molecular Weight325.29 g/mol
Exact Mass325.10
IUPAC Name6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid
SMILESCc1nn2c(c1C(=O)O)N(Cc1ccc(C(F)(F)F)cc1)CC2
InChIInChI=1S/C15H14F3N3O2/c1-9-12(14(22)23)13-20(6-7-21(13)19-9)8-10-2-4-11(5-3-10)15(16,17)18/h2-5H,6-8H2,1H3,(H,22,23)
InChIKeyNUKQYMNFOWCCOR-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

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid?
The IUPAC name of 6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid (CID 129030684) is 6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid.
What is the SMILES notation for 6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid?
The canonical SMILES for 6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid is Cc1nn2c(c1C(=O)O)N(Cc1ccc(C(F)(F)F)cc1)CC2.
What is the InChIKey of 6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid?
The InChIKey is NUKQYMNFOWCCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O2/c1-9-12(14(22)23)13-20(6-7-21(13)19-9)8-10-2-4-11(5-3-10)15(16,17)18/h2-5H,6-8H2,1H3,(H,22,23).
What are the key properties of 6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid?
6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]-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 6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid is sourced from PubChem (CID 129030684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).