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

C10H13N3O5 — CID 110483477

IUPAC5-(5-carboxypentanoylamino)-1H-pyrazole-4-carboxylic acid
SMILESO=C(O)CCCCC(=O)Nc1[nH]ncc1C(=O)O
InChIInChI=1S/C10H13N3O5/c14-7(3-1-2-4-8(15)16)12-9-6(10(17)18)5-11-13-9/h5H,1-4H2,(H,15,16)(H,17,18)(H2,11,12,13,14)
InChIKeyUAEGVLBDOJBAMH-UHFFFAOYSA-N
MW255.23 g/mol
LogP0.69
Rot. Bonds7

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

5-(5-carboxypentanoylamino)-1H-pyrazole-4-carboxylic acid (PubChem CID 110483477) has the molecular formula C10H13N3O5 and a molecular weight of 255.23 g/mol. Its IUPAC name is 5-(5-carboxypentanoylamino)-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(5-carboxypentanoylamino)-1H-pyrazole-4-carboxylic acid
PubChem CID110483477
Molecular FormulaC10H13N3O5
Molecular Weight255.23 g/mol
Exact Mass255.09
IUPAC Name5-(5-carboxypentanoylamino)-1H-pyrazole-4-carboxylic acid
SMILESO=C(O)CCCCC(=O)Nc1[nH]ncc1C(=O)O
InChIInChI=1S/C10H13N3O5/c14-7(3-1-2-4-8(15)16)12-9-6(10(17)18)5-11-13-9/h5H,1-4H2,(H,15,16)(H,17,18)(H2,11,12,13,14)
InChIKeyUAEGVLBDOJBAMH-UHFFFAOYSA-N
XLogP0.69
TPSA132.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 50.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(5-carboxypentanoylamino)-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-(5-carboxypentanoylamino)-1H-pyrazole-4-carboxylic acid (CID 110483477) is 5-(5-carboxypentanoylamino)-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-(5-carboxypentanoylamino)-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-(5-carboxypentanoylamino)-1H-pyrazole-4-carboxylic acid is O=C(O)CCCCC(=O)Nc1[nH]ncc1C(=O)O.
What is the InChIKey of 5-(5-carboxypentanoylamino)-1H-pyrazole-4-carboxylic acid?
The InChIKey is UAEGVLBDOJBAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O5/c14-7(3-1-2-4-8(15)16)12-9-6(10(17)18)5-11-13-9/h5H,1-4H2,(H,15,16)(H,17,18)(H2,11,12,13,14).
What are the key properties of 5-(5-carboxypentanoylamino)-1H-pyrazole-4-carboxylic acid?
5-(5-carboxypentanoylamino)-1H-pyrazole-4-carboxylic acid has a molecular weight of 255.23 g/mol, XLogP of 0.69, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-carboxypentanoylamino)-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 110483477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).