2-[6-methyl-7-(4-methylphenyl)-2-oxo-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl]acetic acid

C15H15N3O3 — CID 135656063

IUPAC2-[6-methyl-7-(4-methylphenyl)-2-oxo-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl]acetic acid
SMILESCc1ccc(-c2c(C)nn3c2NC(=O)C3CC(=O)O)cc1
InChIInChI=1S/C15H15N3O3/c1-8-3-5-10(6-4-8)13-9(2)17-18-11(7-12(19)20)15(21)16-14(13)18/h3-6,11H,7H2,1-2H3,(H,16,21)(H,19,20)
InChIKeyOGBMEGYUKUNYJH-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.13
Rot. Bonds3

About 2-[6-methyl-7-(4-methylphenyl)-2-oxo-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl]acetic acid

2-[6-methyl-7-(4-methylphenyl)-2-oxo-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl]acetic acid (PubChem CID 135656063) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-[6-methyl-7-(4-methylphenyl)-2-oxo-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[6-methyl-7-(4-methylphenyl)-2-oxo-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl]acetic acid
PubChem CID135656063
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name2-[6-methyl-7-(4-methylphenyl)-2-oxo-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl]acetic acid
SMILESCc1ccc(-c2c(C)nn3c2NC(=O)C3CC(=O)O)cc1
InChIInChI=1S/C15H15N3O3/c1-8-3-5-10(6-4-8)13-9(2)17-18-11(7-12(19)20)15(21)16-14(13)18/h3-6,11H,7H2,1-2H3,(H,16,21)(H,19,20)
InChIKeyOGBMEGYUKUNYJH-UHFFFAOYSA-N
XLogP2.13
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-methyl-7-(4-methylphenyl)-2-oxo-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl]acetic acid?
The IUPAC name of 2-[6-methyl-7-(4-methylphenyl)-2-oxo-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl]acetic acid (CID 135656063) is 2-[6-methyl-7-(4-methylphenyl)-2-oxo-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl]acetic acid.
What is the SMILES notation for 2-[6-methyl-7-(4-methylphenyl)-2-oxo-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl]acetic acid?
The canonical SMILES for 2-[6-methyl-7-(4-methylphenyl)-2-oxo-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl]acetic acid is Cc1ccc(-c2c(C)nn3c2NC(=O)C3CC(=O)O)cc1.
What is the InChIKey of 2-[6-methyl-7-(4-methylphenyl)-2-oxo-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl]acetic acid?
The InChIKey is OGBMEGYUKUNYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-8-3-5-10(6-4-8)13-9(2)17-18-11(7-12(19)20)15(21)16-14(13)18/h3-6,11H,7H2,1-2H3,(H,16,21)(H,19,20).
What are the key properties of 2-[6-methyl-7-(4-methylphenyl)-2-oxo-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl]acetic acid?
2-[6-methyl-7-(4-methylphenyl)-2-oxo-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl]acetic acid has a molecular weight of 285.30 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-methyl-7-(4-methylphenyl)-2-oxo-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl]acetic acid is sourced from PubChem (CID 135656063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).