4-carbamoyl-1H-pyrazole-5-carboxylic acid

C5H5N3O3 — CID 152609606

IUPAC4-carbamoyl-1H-pyrazole-5-carboxylic acid
SMILESNC(=O)c1cn[nH]c1C(=O)O
InChIInChI=1S/C5H5N3O3/c6-4(9)2-1-7-8-3(2)5(10)11/h1H,(H2,6,9)(H,7,8)(H,10,11)
InChIKeyYZFVCRMNXIFOJP-UHFFFAOYSA-N
MW155.11 g/mol
LogP-0.79
Rot. Bonds2

About 4-carbamoyl-1H-pyrazole-5-carboxylic acid

4-carbamoyl-1H-pyrazole-5-carboxylic acid (PubChem CID 152609606) has the molecular formula C5H5N3O3 and a molecular weight of 155.11 g/mol. Its IUPAC name is 4-carbamoyl-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-carbamoyl-1H-pyrazole-5-carboxylic acid
PubChem CID152609606
Molecular FormulaC5H5N3O3
Molecular Weight155.11 g/mol
Exact Mass155.03
IUPAC Name4-carbamoyl-1H-pyrazole-5-carboxylic acid
SMILESNC(=O)c1cn[nH]c1C(=O)O
InChIInChI=1S/C5H5N3O3/c6-4(9)2-1-7-8-3(2)5(10)11/h1H,(H2,6,9)(H,7,8)(H,10,11)
InChIKeyYZFVCRMNXIFOJP-UHFFFAOYSA-N
XLogP-0.79
TPSA109.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.11
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-carbamoyl-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 4-carbamoyl-1H-pyrazole-5-carboxylic acid (CID 152609606) is 4-carbamoyl-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 4-carbamoyl-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 4-carbamoyl-1H-pyrazole-5-carboxylic acid is NC(=O)c1cn[nH]c1C(=O)O.
What is the InChIKey of 4-carbamoyl-1H-pyrazole-5-carboxylic acid?
The InChIKey is YZFVCRMNXIFOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3O3/c6-4(9)2-1-7-8-3(2)5(10)11/h1H,(H2,6,9)(H,7,8)(H,10,11).
What are the key properties of 4-carbamoyl-1H-pyrazole-5-carboxylic acid?
4-carbamoyl-1H-pyrazole-5-carboxylic acid has a molecular weight of 155.11 g/mol, XLogP of -0.79, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbamoyl-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 152609606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).