5-(dimethylcarbamoyl)-1-propan-2-ylpyrazole-4-carboxylic acid

C10H15N3O3 — CID 117219065

IUPAC5-(dimethylcarbamoyl)-1-propan-2-ylpyrazole-4-carboxylic acid
SMILESCC(C)n1ncc(C(=O)O)c1C(=O)N(C)C
InChIInChI=1S/C10H15N3O3/c1-6(2)13-8(9(14)12(3)4)7(5-11-13)10(15)16/h5-6H,1-4H3,(H,15,16)
InChIKeyBKPJGTQNJGUMDT-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.86
Rot. Bonds3

About 5-(dimethylcarbamoyl)-1-propan-2-ylpyrazole-4-carboxylic acid

5-(dimethylcarbamoyl)-1-propan-2-ylpyrazole-4-carboxylic acid (PubChem CID 117219065) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 5-(dimethylcarbamoyl)-1-propan-2-ylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(dimethylcarbamoyl)-1-propan-2-ylpyrazole-4-carboxylic acid
PubChem CID117219065
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name5-(dimethylcarbamoyl)-1-propan-2-ylpyrazole-4-carboxylic acid
SMILESCC(C)n1ncc(C(=O)O)c1C(=O)N(C)C
InChIInChI=1S/C10H15N3O3/c1-6(2)13-8(9(14)12(3)4)7(5-11-13)10(15)16/h5-6H,1-4H3,(H,15,16)
InChIKeyBKPJGTQNJGUMDT-UHFFFAOYSA-N
XLogP0.86
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N,N-dimethyl-1-propan-2-ylpyrazole-4-carboxamide
CID 117213760
4-fluoro-1-propan-2-ylpyrazole-5-carboxylic acid
CID 58356341
5-nitro-1-propan-2-ylpyrazole-4-carboxylic acid
CID 146680478
4-N,5-N-dimethyl-1-propan-2-ylpyrazole-4,5-dicarboxamide
CID 154882458
5-(ethylaminomethyl)-1-propan-2-ylpyrazole-4-carboxylic acid
CID 117218029
5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-propan-2-ylpyrazole-4-carboxylic acid
CID 117219041
4-(methoxymethyl)-1-propan-2-ylpyrazole-5-carboxylic acid
CID 117216857
1-methylpyrazole-4,5-dicarboxylic acid
CID 19623309
5-methyl-1-(3-methylsulfanylbutan-2-yl)pyrazole-4-carboxylic acid;hydrochloride
CID 175604971
5-(cyclopropylmethoxy)-1-propan-2-ylpyrazole-4-carboxylic acid
CID 97180466
4-(methylsulfonylmethyl)-1-propan-2-ylpyrazole-5-carboxylic acid
CID 117216809
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)ethanone
CID 83876724

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylcarbamoyl)-1-propan-2-ylpyrazole-4-carboxylic acid?
The IUPAC name of 5-(dimethylcarbamoyl)-1-propan-2-ylpyrazole-4-carboxylic acid (CID 117219065) is 5-(dimethylcarbamoyl)-1-propan-2-ylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-(dimethylcarbamoyl)-1-propan-2-ylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-(dimethylcarbamoyl)-1-propan-2-ylpyrazole-4-carboxylic acid is CC(C)n1ncc(C(=O)O)c1C(=O)N(C)C.
What is the InChIKey of 5-(dimethylcarbamoyl)-1-propan-2-ylpyrazole-4-carboxylic acid?
The InChIKey is BKPJGTQNJGUMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-6(2)13-8(9(14)12(3)4)7(5-11-13)10(15)16/h5-6H,1-4H3,(H,15,16).
What are the key properties of 5-(dimethylcarbamoyl)-1-propan-2-ylpyrazole-4-carboxylic acid?
5-(dimethylcarbamoyl)-1-propan-2-ylpyrazole-4-carboxylic acid has a molecular weight of 225.25 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylcarbamoyl)-1-propan-2-ylpyrazole-4-carboxylic acid is sourced from PubChem (CID 117219065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).