5-imidazol-1-yl-1,3-dimethylpyrazole-4-carboxylic acid

C9H10N4O2 — CID 28952194

IUPAC5-imidazol-1-yl-1,3-dimethylpyrazole-4-carboxylic acid
SMILESCc1nn(C)c(-n2ccnc2)c1C(=O)O
InChIInChI=1S/C9H10N4O2/c1-6-7(9(14)15)8(12(2)11-6)13-4-3-10-5-13/h3-5H,1-2H3,(H,14,15)
InChIKeyPOCGVVMZIDFFBV-UHFFFAOYSA-N
MW206.21 g/mol
LogP0.61
Rot. Bonds2

About 5-imidazol-1-yl-1,3-dimethylpyrazole-4-carboxylic acid

5-imidazol-1-yl-1,3-dimethylpyrazole-4-carboxylic acid (PubChem CID 28952194) has the molecular formula C9H10N4O2 and a molecular weight of 206.21 g/mol. Its IUPAC name is 5-imidazol-1-yl-1,3-dimethylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-imidazol-1-yl-1,3-dimethylpyrazole-4-carboxylic acid
PubChem CID28952194
Molecular FormulaC9H10N4O2
Molecular Weight206.21 g/mol
Exact Mass206.08
IUPAC Name5-imidazol-1-yl-1,3-dimethylpyrazole-4-carboxylic acid
SMILESCc1nn(C)c(-n2ccnc2)c1C(=O)O
InChIInChI=1S/C9H10N4O2/c1-6-7(9(14)15)8(12(2)11-6)13-4-3-10-5-13/h3-5H,1-2H3,(H,14,15)
InChIKeyPOCGVVMZIDFFBV-UHFFFAOYSA-N
XLogP0.61
TPSA72.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-imidazol-1-yl-1,3-dimethylpyrazole-4-carboxylic acid?
The IUPAC name of 5-imidazol-1-yl-1,3-dimethylpyrazole-4-carboxylic acid (CID 28952194) is 5-imidazol-1-yl-1,3-dimethylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-imidazol-1-yl-1,3-dimethylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-imidazol-1-yl-1,3-dimethylpyrazole-4-carboxylic acid is Cc1nn(C)c(-n2ccnc2)c1C(=O)O.
What is the InChIKey of 5-imidazol-1-yl-1,3-dimethylpyrazole-4-carboxylic acid?
The InChIKey is POCGVVMZIDFFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c1-6-7(9(14)15)8(12(2)11-6)13-4-3-10-5-13/h3-5H,1-2H3,(H,14,15).
What are the key properties of 5-imidazol-1-yl-1,3-dimethylpyrazole-4-carboxylic acid?
5-imidazol-1-yl-1,3-dimethylpyrazole-4-carboxylic acid has a molecular weight of 206.21 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imidazol-1-yl-1,3-dimethylpyrazole-4-carboxylic acid is sourced from PubChem (CID 28952194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).