3-carbamoyl-4,5-dihydro-1H-pyrazole-4-carboxylic acid

C5H7N3O3 — CID 174948599

IUPAC3-carbamoyl-4,5-dihydro-1H-pyrazole-4-carboxylic acid
SMILESNC(=O)C1=NNCC1C(=O)O
InChIInChI=1S/C5H7N3O3/c6-4(9)3-2(5(10)11)1-7-8-3/h2,7H,1H2,(H2,6,9)(H,10,11)
InChIKeyPQUDMYMHDCZLIE-UHFFFAOYSA-N
MW157.13 g/mol
LogP-1.87
Rot. Bonds2

About 3-carbamoyl-4,5-dihydro-1H-pyrazole-4-carboxylic acid

3-carbamoyl-4,5-dihydro-1H-pyrazole-4-carboxylic acid (PubChem CID 174948599) has the molecular formula C5H7N3O3 and a molecular weight of 157.13 g/mol. Its IUPAC name is 3-carbamoyl-4,5-dihydro-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3-carbamoyl-4,5-dihydro-1H-pyrazole-4-carboxylic acid
PubChem CID174948599
Molecular FormulaC5H7N3O3
Molecular Weight157.13 g/mol
Exact Mass157.05
IUPAC Name3-carbamoyl-4,5-dihydro-1H-pyrazole-4-carboxylic acid
SMILESNC(=O)C1=NNCC1C(=O)O
InChIInChI=1S/C5H7N3O3/c6-4(9)3-2(5(10)11)1-7-8-3/h2,7H,1H2,(H2,6,9)(H,10,11)
InChIKeyPQUDMYMHDCZLIE-UHFFFAOYSA-N
XLogP-1.87
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.13
LogP ≤ 5-1.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-carbamoyl-4,5-dihydro-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 3-carbamoyl-4,5-dihydro-1H-pyrazole-4-carboxylic acid (CID 174948599) is 3-carbamoyl-4,5-dihydro-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 3-carbamoyl-4,5-dihydro-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 3-carbamoyl-4,5-dihydro-1H-pyrazole-4-carboxylic acid is NC(=O)C1=NNCC1C(=O)O.
What is the InChIKey of 3-carbamoyl-4,5-dihydro-1H-pyrazole-4-carboxylic acid?
The InChIKey is PQUDMYMHDCZLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O3/c6-4(9)3-2(5(10)11)1-7-8-3/h2,7H,1H2,(H2,6,9)(H,10,11).
What are the key properties of 3-carbamoyl-4,5-dihydro-1H-pyrazole-4-carboxylic acid?
3-carbamoyl-4,5-dihydro-1H-pyrazole-4-carboxylic acid has a molecular weight of 157.13 g/mol, XLogP of -1.87, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbamoyl-4,5-dihydro-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 174948599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).