1,5-dimethylpyrazole-3,4-dicarboxylic acid

C7H8N2O4 — CID 10559376

IUPAC1,5-dimethylpyrazole-3,4-dicarboxylic acid
SMILESCc1c(C(=O)O)c(C(=O)O)nn1C
InChIInChI=1S/C7H8N2O4/c1-3-4(6(10)11)5(7(12)13)8-9(3)2/h1-2H3,(H,10,11)(H,12,13)
InChIKeySLEAXLWZTDELLX-UHFFFAOYSA-N
MW184.15 g/mol
LogP0.12
Rot. Bonds2

About 1,5-dimethylpyrazole-3,4-dicarboxylic acid

1,5-dimethylpyrazole-3,4-dicarboxylic acid (PubChem CID 10559376) has the molecular formula C7H8N2O4 and a molecular weight of 184.15 g/mol. Its IUPAC name is 1,5-dimethylpyrazole-3,4-dicarboxylic acid.

Molecular Properties

Compound Name1,5-dimethylpyrazole-3,4-dicarboxylic acid
PubChem CID10559376
Molecular FormulaC7H8N2O4
Molecular Weight184.15 g/mol
Exact Mass184.05
IUPAC Name1,5-dimethylpyrazole-3,4-dicarboxylic acid
SMILESCc1c(C(=O)O)c(C(=O)O)nn1C
InChIInChI=1S/C7H8N2O4/c1-3-4(6(10)11)5(7(12)13)8-9(3)2/h1-2H3,(H,10,11)(H,12,13)
InChIKeySLEAXLWZTDELLX-UHFFFAOYSA-N
XLogP0.12
TPSA92.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-iodo-1,5-dimethylpyrazole-4-carboxylic acid
CID 12654288
1,5-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]pyrazole-3-carboxylic acid
CID 118158643
1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 19754695
3-(4-hydroxyphenyl)-1,5-dimethylpyrazole-4-carboxylic acid
CID 139311628
5-cyclopropyl-1,4-dimethylpyrazole-3-carboxylic acid
CID 105438703
ethane;5-ethyl-1,4-dimethylpyrazole-3-carboxylic acid
CID 170618736
4-iodo-1-methylpyrazole-3,5-dicarboxylic acid
CID 12563626
4-chloro-5-fluoro-1-methylpyrazole-3-carboxylic acid
CID 170913368
methyl 1,4,5-trimethylpyrazole-3-carboxylate
CID 144787574
(E)-3-(1,3,5-trimethylpyrazol-4-yl)hex-2-enoic acid
CID 112721876
4-(3-fluoro-4-methoxyphenyl)-1,5-dimethylpyrazole-3-carboxylic acid
CID 82486252
N-hydroxy-1,3,5-trimethylpyrazole-4-carboxamide
CID 28742914

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethylpyrazole-3,4-dicarboxylic acid?
The IUPAC name of 1,5-dimethylpyrazole-3,4-dicarboxylic acid (CID 10559376) is 1,5-dimethylpyrazole-3,4-dicarboxylic acid.
What is the SMILES notation for 1,5-dimethylpyrazole-3,4-dicarboxylic acid?
The canonical SMILES for 1,5-dimethylpyrazole-3,4-dicarboxylic acid is Cc1c(C(=O)O)c(C(=O)O)nn1C.
What is the InChIKey of 1,5-dimethylpyrazole-3,4-dicarboxylic acid?
The InChIKey is SLEAXLWZTDELLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O4/c1-3-4(6(10)11)5(7(12)13)8-9(3)2/h1-2H3,(H,10,11)(H,12,13).
What are the key properties of 1,5-dimethylpyrazole-3,4-dicarboxylic acid?
1,5-dimethylpyrazole-3,4-dicarboxylic acid has a molecular weight of 184.15 g/mol, XLogP of 0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethylpyrazole-3,4-dicarboxylic acid is sourced from PubChem (CID 10559376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).