2-(1,4-dimethylpyrazol-5-yl)-1H-imidazole-5-carboxylic acid

C9H10N4O2 — CID 137229426

IUPAC2-(1,4-dimethylpyrazol-5-yl)-1H-imidazole-5-carboxylic acid
SMILESCc1cnn(C)c1-c1ncc(C(=O)O)[nH]1
InChIInChI=1S/C9H10N4O2/c1-5-3-11-13(2)7(5)8-10-4-6(12-8)9(14)15/h3-4H,1-2H3,(H,10,12)(H,14,15)
InChIKeyNMTKBVHQDAOBDF-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.82
Rot. Bonds2

About 2-(1,4-dimethylpyrazol-5-yl)-1H-imidazole-5-carboxylic acid

2-(1,4-dimethylpyrazol-5-yl)-1H-imidazole-5-carboxylic acid (PubChem CID 137229426) has the molecular formula C9H10N4O2 and a molecular weight of 206.20 g/mol. Its IUPAC name is 2-(1,4-dimethylpyrazol-5-yl)-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(1,4-dimethylpyrazol-5-yl)-1H-imidazole-5-carboxylic acid
PubChem CID137229426
Molecular FormulaC9H10N4O2
Molecular Weight206.20 g/mol
Exact Mass206.08
IUPAC Name2-(1,4-dimethylpyrazol-5-yl)-1H-imidazole-5-carboxylic acid
SMILESCc1cnn(C)c1-c1ncc(C(=O)O)[nH]1
InChIInChI=1S/C9H10N4O2/c1-5-3-11-13(2)7(5)8-10-4-6(12-8)9(14)15/h3-4H,1-2H3,(H,10,12)(H,14,15)
InChIKeyNMTKBVHQDAOBDF-UHFFFAOYSA-N
XLogP0.82
TPSA83.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dimethylpyrazol-5-yl)-1H-imidazole-5-carboxylic acid?
The IUPAC name of 2-(1,4-dimethylpyrazol-5-yl)-1H-imidazole-5-carboxylic acid (CID 137229426) is 2-(1,4-dimethylpyrazol-5-yl)-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 2-(1,4-dimethylpyrazol-5-yl)-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 2-(1,4-dimethylpyrazol-5-yl)-1H-imidazole-5-carboxylic acid is Cc1cnn(C)c1-c1ncc(C(=O)O)[nH]1.
What is the InChIKey of 2-(1,4-dimethylpyrazol-5-yl)-1H-imidazole-5-carboxylic acid?
The InChIKey is NMTKBVHQDAOBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c1-5-3-11-13(2)7(5)8-10-4-6(12-8)9(14)15/h3-4H,1-2H3,(H,10,12)(H,14,15).
What are the key properties of 2-(1,4-dimethylpyrazol-5-yl)-1H-imidazole-5-carboxylic acid?
2-(1,4-dimethylpyrazol-5-yl)-1H-imidazole-5-carboxylic acid has a molecular weight of 206.20 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dimethylpyrazol-5-yl)-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 137229426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).