4-carbamoyl-1-methylpyrazole-5-carboxylic acid

C6H7N3O3 — CID 19623311

IUPAC4-carbamoyl-1-methylpyrazole-5-carboxylic acid
SMILESCn1ncc(C(N)=O)c1C(=O)O
InChIInChI=1S/C6H7N3O3/c1-9-4(6(11)12)3(2-8-9)5(7)10/h2H,1H3,(H2,7,10)(H,11,12)
InChIKeyUAKJCPBNPZVVFY-UHFFFAOYSA-N
MW169.14 g/mol
LogP-0.78
Rot. Bonds2

About 4-carbamoyl-1-methylpyrazole-5-carboxylic acid

4-carbamoyl-1-methylpyrazole-5-carboxylic acid (PubChem CID 19623311) has the molecular formula C6H7N3O3 and a molecular weight of 169.14 g/mol. Its IUPAC name is 4-carbamoyl-1-methylpyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-carbamoyl-1-methylpyrazole-5-carboxylic acid
PubChem CID19623311
Molecular FormulaC6H7N3O3
Molecular Weight169.14 g/mol
Exact Mass169.05
IUPAC Name4-carbamoyl-1-methylpyrazole-5-carboxylic acid
SMILESCn1ncc(C(N)=O)c1C(=O)O
InChIInChI=1S/C6H7N3O3/c1-9-4(6(11)12)3(2-8-9)5(7)10/h2H,1H3,(H2,7,10)(H,11,12)
InChIKeyUAKJCPBNPZVVFY-UHFFFAOYSA-N
XLogP-0.78
TPSA98.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.14
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-carbamoyl-1-methylpyrazole-5-carboxylic acid?
The IUPAC name of 4-carbamoyl-1-methylpyrazole-5-carboxylic acid (CID 19623311) is 4-carbamoyl-1-methylpyrazole-5-carboxylic acid.
What is the SMILES notation for 4-carbamoyl-1-methylpyrazole-5-carboxylic acid?
The canonical SMILES for 4-carbamoyl-1-methylpyrazole-5-carboxylic acid is Cn1ncc(C(N)=O)c1C(=O)O.
What is the InChIKey of 4-carbamoyl-1-methylpyrazole-5-carboxylic acid?
The InChIKey is UAKJCPBNPZVVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O3/c1-9-4(6(11)12)3(2-8-9)5(7)10/h2H,1H3,(H2,7,10)(H,11,12).
What are the key properties of 4-carbamoyl-1-methylpyrazole-5-carboxylic acid?
4-carbamoyl-1-methylpyrazole-5-carboxylic acid has a molecular weight of 169.14 g/mol, XLogP of -0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbamoyl-1-methylpyrazole-5-carboxylic acid is sourced from PubChem (CID 19623311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).