5-(4-oxopentanoylamino)-1H-pyrazole-4-carboxylic acid

C9H11N3O4 — CID 71162061

IUPAC5-(4-oxopentanoylamino)-1H-pyrazole-4-carboxylic acid
SMILESCC(=O)CCC(=O)Nc1[nH]ncc1C(=O)O
InChIInChI=1S/C9H11N3O4/c1-5(13)2-3-7(14)11-8-6(9(15)16)4-10-12-8/h4H,2-3H2,1H3,(H,15,16)(H2,10,11,12,14)
InChIKeyPJHHTHQBSBBIBE-UHFFFAOYSA-N
MW225.20 g/mol
LogP0.42
Rot. Bonds5

About 5-(4-oxopentanoylamino)-1H-pyrazole-4-carboxylic acid

5-(4-oxopentanoylamino)-1H-pyrazole-4-carboxylic acid (PubChem CID 71162061) has the molecular formula C9H11N3O4 and a molecular weight of 225.20 g/mol. Its IUPAC name is 5-(4-oxopentanoylamino)-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(4-oxopentanoylamino)-1H-pyrazole-4-carboxylic acid
PubChem CID71162061
Molecular FormulaC9H11N3O4
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Name5-(4-oxopentanoylamino)-1H-pyrazole-4-carboxylic acid
SMILESCC(=O)CCC(=O)Nc1[nH]ncc1C(=O)O
InChIInChI=1S/C9H11N3O4/c1-5(13)2-3-7(14)11-8-6(9(15)16)4-10-12-8/h4H,2-3H2,1H3,(H,15,16)(H2,10,11,12,14)
InChIKeyPJHHTHQBSBBIBE-UHFFFAOYSA-N
XLogP0.42
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-oxopentanoylamino)-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-(4-oxopentanoylamino)-1H-pyrazole-4-carboxylic acid (CID 71162061) is 5-(4-oxopentanoylamino)-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-(4-oxopentanoylamino)-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-(4-oxopentanoylamino)-1H-pyrazole-4-carboxylic acid is CC(=O)CCC(=O)Nc1[nH]ncc1C(=O)O.
What is the InChIKey of 5-(4-oxopentanoylamino)-1H-pyrazole-4-carboxylic acid?
The InChIKey is PJHHTHQBSBBIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O4/c1-5(13)2-3-7(14)11-8-6(9(15)16)4-10-12-8/h4H,2-3H2,1H3,(H,15,16)(H2,10,11,12,14).
What are the key properties of 5-(4-oxopentanoylamino)-1H-pyrazole-4-carboxylic acid?
5-(4-oxopentanoylamino)-1H-pyrazole-4-carboxylic acid has a molecular weight of 225.20 g/mol, XLogP of 0.42, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-oxopentanoylamino)-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 71162061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).