5-methyl-1-(5-methyl-1H-pyrazol-3-yl)pyrazole-3-carboxylic acid

C9H10N4O2 — CID 102514136

IUPAC5-methyl-1-(5-methyl-1H-pyrazol-3-yl)pyrazole-3-carboxylic acid
SMILESCc1cc(-n2nc(C(=O)O)cc2C)n[nH]1
InChIInChI=1S/C9H10N4O2/c1-5-3-8(11-10-5)13-6(2)4-7(12-13)9(14)15/h3-4H,1-2H3,(H,10,11)(H,14,15)
InChIKeyOVXXUJZTLYKGTA-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.91
Rot. Bonds2

About 5-methyl-1-(5-methyl-1H-pyrazol-3-yl)pyrazole-3-carboxylic acid

5-methyl-1-(5-methyl-1H-pyrazol-3-yl)pyrazole-3-carboxylic acid (PubChem CID 102514136) has the molecular formula C9H10N4O2 and a molecular weight of 206.20 g/mol. Its IUPAC name is 5-methyl-1-(5-methyl-1H-pyrazol-3-yl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1-(5-methyl-1H-pyrazol-3-yl)pyrazole-3-carboxylic acid
PubChem CID102514136
Molecular FormulaC9H10N4O2
Molecular Weight206.20 g/mol
Exact Mass206.08
IUPAC Name5-methyl-1-(5-methyl-1H-pyrazol-3-yl)pyrazole-3-carboxylic acid
SMILESCc1cc(-n2nc(C(=O)O)cc2C)n[nH]1
InChIInChI=1S/C9H10N4O2/c1-5-3-8(11-10-5)13-6(2)4-7(12-13)9(14)15/h3-4H,1-2H3,(H,10,11)(H,14,15)
InChIKeyOVXXUJZTLYKGTA-UHFFFAOYSA-N
XLogP0.91
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 ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-1-(5-methyl-1H-pyrazol-3-yl)pyrazole
CID 12560600
1-(2,6-dimethylpyrimidin-4-yl)-5-methylpyrazole-3-carboxylic acid
CID 134397701
5-methyl-1-phenylpyrazole-3-carboxylic acid
CID 698388
1-(2,6-dimethylphenyl)-5-methylpyrazole-3-carboxylic acid
CID 82081789
5-methyl-1-(2,3,5,6-tetrafluorophenyl)pyrazole-3-carboxylic acid
CID 107645273
1-(4-bromo-3,5-dimethylphenyl)-5-methylpyrazole-3-carboxylic acid
CID 107575693
5-methyl-1-(3-methylphenyl)pyrazole-3-carboxylic acid
CID 22831928
5-methyl-1-(5-sulfamoyl-2-pyridinyl)pyrazole-3-carboxylic acid
CID 52982933
1-amino-5-methylpyrazole-3-carboxylic acid
CID 22099274
1,5-dimethylpyrazole-3-carboxylic acid;iridium
CID 59657074
1-(2,4-dibromophenyl)-5-methylpyrazole-3-carboxylic acid
CID 105421500
1-(2-bromo-4-methylphenyl)-5-methylpyrazole-3-carboxylic acid
CID 82094448

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(5-methyl-1H-pyrazol-3-yl)pyrazole-3-carboxylic acid?
The IUPAC name of 5-methyl-1-(5-methyl-1H-pyrazol-3-yl)pyrazole-3-carboxylic acid (CID 102514136) is 5-methyl-1-(5-methyl-1H-pyrazol-3-yl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-methyl-1-(5-methyl-1H-pyrazol-3-yl)pyrazole-3-carboxylic acid?
The canonical SMILES for 5-methyl-1-(5-methyl-1H-pyrazol-3-yl)pyrazole-3-carboxylic acid is Cc1cc(-n2nc(C(=O)O)cc2C)n[nH]1.
What is the InChIKey of 5-methyl-1-(5-methyl-1H-pyrazol-3-yl)pyrazole-3-carboxylic acid?
The InChIKey is OVXXUJZTLYKGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c1-5-3-8(11-10-5)13-6(2)4-7(12-13)9(14)15/h3-4H,1-2H3,(H,10,11)(H,14,15).
What are the key properties of 5-methyl-1-(5-methyl-1H-pyrazol-3-yl)pyrazole-3-carboxylic acid?
5-methyl-1-(5-methyl-1H-pyrazol-3-yl)pyrazole-3-carboxylic acid has a molecular weight of 206.20 g/mol, XLogP of 0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(5-methyl-1H-pyrazol-3-yl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 102514136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).