3-(dimethylcarbamoyl)-1-methylpyrazole-4-carboxylic acid

C8H11N3O3 — CID 15679516

IUPAC3-(dimethylcarbamoyl)-1-methylpyrazole-4-carboxylic acid
SMILESCN(C)C(=O)c1nn(C)cc1C(=O)O
InChIInChI=1S/C8H11N3O3/c1-10(2)7(12)6-5(8(13)14)4-11(3)9-6/h4H,1-3H3,(H,13,14)
InChIKeyLOXOJNSLJRSZNL-UHFFFAOYSA-N
MW197.19 g/mol
LogP-0.18
Rot. Bonds2

About 3-(dimethylcarbamoyl)-1-methylpyrazole-4-carboxylic acid

3-(dimethylcarbamoyl)-1-methylpyrazole-4-carboxylic acid (PubChem CID 15679516) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 3-(dimethylcarbamoyl)-1-methylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(dimethylcarbamoyl)-1-methylpyrazole-4-carboxylic acid
PubChem CID15679516
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name3-(dimethylcarbamoyl)-1-methylpyrazole-4-carboxylic acid
SMILESCN(C)C(=O)c1nn(C)cc1C(=O)O
InChIInChI=1S/C8H11N3O3/c1-10(2)7(12)6-5(8(13)14)4-11(3)9-6/h4H,1-3H3,(H,13,14)
InChIKeyLOXOJNSLJRSZNL-UHFFFAOYSA-N
XLogP-0.18
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylcarbamoyl)-1-methylpyrazole-4-carboxylic acid?
The IUPAC name of 3-(dimethylcarbamoyl)-1-methylpyrazole-4-carboxylic acid (CID 15679516) is 3-(dimethylcarbamoyl)-1-methylpyrazole-4-carboxylic acid.
What is the SMILES notation for 3-(dimethylcarbamoyl)-1-methylpyrazole-4-carboxylic acid?
The canonical SMILES for 3-(dimethylcarbamoyl)-1-methylpyrazole-4-carboxylic acid is CN(C)C(=O)c1nn(C)cc1C(=O)O.
What is the InChIKey of 3-(dimethylcarbamoyl)-1-methylpyrazole-4-carboxylic acid?
The InChIKey is LOXOJNSLJRSZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-10(2)7(12)6-5(8(13)14)4-11(3)9-6/h4H,1-3H3,(H,13,14).
What are the key properties of 3-(dimethylcarbamoyl)-1-methylpyrazole-4-carboxylic acid?
3-(dimethylcarbamoyl)-1-methylpyrazole-4-carboxylic acid has a molecular weight of 197.19 g/mol, XLogP of -0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylcarbamoyl)-1-methylpyrazole-4-carboxylic acid is sourced from PubChem (CID 15679516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).