5-methyl-2-(5-methyl-1H-pyrazol-3-yl)-1H-imidazo[1,2-a]imidazole-6-carboxylic acid

C11H11N5O2 — CID 82385282

IUPAC5-methyl-2-(5-methyl-1H-pyrazol-3-yl)-1H-imidazo[1,2-a]imidazole-6-carboxylic acid
SMILESCc1cc(-c2cn3c(C)c(C(=O)O)nc3[nH]2)n[nH]1
InChIInChI=1S/C11H11N5O2/c1-5-3-7(15-14-5)8-4-16-6(2)9(10(17)18)13-11(16)12-8/h3-4H,1-2H3,(H,12,13)(H,14,15)(H,17,18)
InChIKeyXSXKMPCENONEJA-UHFFFAOYSA-N
MW245.24 g/mol
LogP1.37
Rot. Bonds2

About 5-methyl-2-(5-methyl-1H-pyrazol-3-yl)-1H-imidazo[1,2-a]imidazole-6-carboxylic acid

5-methyl-2-(5-methyl-1H-pyrazol-3-yl)-1H-imidazo[1,2-a]imidazole-6-carboxylic acid (PubChem CID 82385282) has the molecular formula C11H11N5O2 and a molecular weight of 245.24 g/mol. Its IUPAC name is 5-methyl-2-(5-methyl-1H-pyrazol-3-yl)-1H-imidazo[1,2-a]imidazole-6-carboxylic acid.

Molecular Properties

Compound Name5-methyl-2-(5-methyl-1H-pyrazol-3-yl)-1H-imidazo[1,2-a]imidazole-6-carboxylic acid
PubChem CID82385282
Molecular FormulaC11H11N5O2
Molecular Weight245.24 g/mol
Exact Mass245.09
IUPAC Name5-methyl-2-(5-methyl-1H-pyrazol-3-yl)-1H-imidazo[1,2-a]imidazole-6-carboxylic acid
SMILESCc1cc(-c2cn3c(C)c(C(=O)O)nc3[nH]2)n[nH]1
InChIInChI=1S/C11H11N5O2/c1-5-3-7(15-14-5)8-4-16-6(2)9(10(17)18)13-11(16)12-8/h3-4H,1-2H3,(H,12,13)(H,14,15)(H,17,18)
InChIKeyXSXKMPCENONEJA-UHFFFAOYSA-N
XLogP1.37
TPSA99.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(5-methyl-1H-pyrazol-3-yl)-1H-imidazo[1,2-a]imidazole-6-carboxylic acid?
The IUPAC name of 5-methyl-2-(5-methyl-1H-pyrazol-3-yl)-1H-imidazo[1,2-a]imidazole-6-carboxylic acid (CID 82385282) is 5-methyl-2-(5-methyl-1H-pyrazol-3-yl)-1H-imidazo[1,2-a]imidazole-6-carboxylic acid.
What is the SMILES notation for 5-methyl-2-(5-methyl-1H-pyrazol-3-yl)-1H-imidazo[1,2-a]imidazole-6-carboxylic acid?
The canonical SMILES for 5-methyl-2-(5-methyl-1H-pyrazol-3-yl)-1H-imidazo[1,2-a]imidazole-6-carboxylic acid is Cc1cc(-c2cn3c(C)c(C(=O)O)nc3[nH]2)n[nH]1.
What is the InChIKey of 5-methyl-2-(5-methyl-1H-pyrazol-3-yl)-1H-imidazo[1,2-a]imidazole-6-carboxylic acid?
The InChIKey is XSXKMPCENONEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O2/c1-5-3-7(15-14-5)8-4-16-6(2)9(10(17)18)13-11(16)12-8/h3-4H,1-2H3,(H,12,13)(H,14,15)(H,17,18).
What are the key properties of 5-methyl-2-(5-methyl-1H-pyrazol-3-yl)-1H-imidazo[1,2-a]imidazole-6-carboxylic acid?
5-methyl-2-(5-methyl-1H-pyrazol-3-yl)-1H-imidazo[1,2-a]imidazole-6-carboxylic acid has a molecular weight of 245.24 g/mol, XLogP of 1.37, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(5-methyl-1H-pyrazol-3-yl)-1H-imidazo[1,2-a]imidazole-6-carboxylic acid is sourced from PubChem (CID 82385282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).