4-hydroxy-1,3-dimethylpyrazole-5-carboxylic acid

C6H8N2O3 — CID 67201688

IUPAC4-hydroxy-1,3-dimethylpyrazole-5-carboxylic acid
SMILESCc1nn(C)c(C(=O)O)c1O
InChIInChI=1S/C6H8N2O3/c1-3-5(9)4(6(10)11)8(2)7-3/h9H,1-2H3,(H,10,11)
InChIKeyHQFANGCSGODMRR-UHFFFAOYSA-N
MW156.14 g/mol
LogP0.13
Rot. Bonds1

About 4-hydroxy-1,3-dimethylpyrazole-5-carboxylic acid

4-hydroxy-1,3-dimethylpyrazole-5-carboxylic acid (PubChem CID 67201688) has the molecular formula C6H8N2O3 and a molecular weight of 156.14 g/mol. Its IUPAC name is 4-hydroxy-1,3-dimethylpyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1,3-dimethylpyrazole-5-carboxylic acid
PubChem CID67201688
Molecular FormulaC6H8N2O3
Molecular Weight156.14 g/mol
Exact Mass156.05
IUPAC Name4-hydroxy-1,3-dimethylpyrazole-5-carboxylic acid
SMILESCc1nn(C)c(C(=O)O)c1O
InChIInChI=1S/C6H8N2O3/c1-3-5(9)4(6(10)11)8(2)7-3/h9H,1-2H3,(H,10,11)
InChIKeyHQFANGCSGODMRR-UHFFFAOYSA-N
XLogP0.13
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1,3-dimethylpyrazole-5-carboxylic acid?
The IUPAC name of 4-hydroxy-1,3-dimethylpyrazole-5-carboxylic acid (CID 67201688) is 4-hydroxy-1,3-dimethylpyrazole-5-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1,3-dimethylpyrazole-5-carboxylic acid?
The canonical SMILES for 4-hydroxy-1,3-dimethylpyrazole-5-carboxylic acid is Cc1nn(C)c(C(=O)O)c1O.
What is the InChIKey of 4-hydroxy-1,3-dimethylpyrazole-5-carboxylic acid?
The InChIKey is HQFANGCSGODMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3/c1-3-5(9)4(6(10)11)8(2)7-3/h9H,1-2H3,(H,10,11).
What are the key properties of 4-hydroxy-1,3-dimethylpyrazole-5-carboxylic acid?
4-hydroxy-1,3-dimethylpyrazole-5-carboxylic acid has a molecular weight of 156.14 g/mol, XLogP of 0.13, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1,3-dimethylpyrazole-5-carboxylic acid is sourced from PubChem (CID 67201688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).