2-(5-oxo-1-propyl-4H-pyrazol-3-yl)acetic acid

C8H12N2O3 — CID 61266879

IUPAC2-(5-oxo-1-propyl-4H-pyrazol-3-yl)acetic acid
SMILESCCCN1N=C(CC(=O)O)CC1=O
InChIInChI=1S/C8H12N2O3/c1-2-3-10-7(11)4-6(9-10)5-8(12)13/h2-5H2,1H3,(H,12,13)
InChIKeyURNWZCQMEVSVHO-UHFFFAOYSA-N
MW184.19 g/mol
LogP0.46
Rot. Bonds4

About 2-(5-oxo-1-propyl-4H-pyrazol-3-yl)acetic acid

2-(5-oxo-1-propyl-4H-pyrazol-3-yl)acetic acid (PubChem CID 61266879) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 2-(5-oxo-1-propyl-4H-pyrazol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(5-oxo-1-propyl-4H-pyrazol-3-yl)acetic acid
PubChem CID61266879
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name2-(5-oxo-1-propyl-4H-pyrazol-3-yl)acetic acid
SMILESCCCN1N=C(CC(=O)O)CC1=O
InChIInChI=1S/C8H12N2O3/c1-2-3-10-7(11)4-6(9-10)5-8(12)13/h2-5H2,1H3,(H,12,13)
InChIKeyURNWZCQMEVSVHO-UHFFFAOYSA-N
XLogP0.46
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-oxo-1-propyl-4H-pyrazol-3-yl)acetic acid?
The IUPAC name of 2-(5-oxo-1-propyl-4H-pyrazol-3-yl)acetic acid (CID 61266879) is 2-(5-oxo-1-propyl-4H-pyrazol-3-yl)acetic acid.
What is the SMILES notation for 2-(5-oxo-1-propyl-4H-pyrazol-3-yl)acetic acid?
The canonical SMILES for 2-(5-oxo-1-propyl-4H-pyrazol-3-yl)acetic acid is CCCN1N=C(CC(=O)O)CC1=O.
What is the InChIKey of 2-(5-oxo-1-propyl-4H-pyrazol-3-yl)acetic acid?
The InChIKey is URNWZCQMEVSVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-2-3-10-7(11)4-6(9-10)5-8(12)13/h2-5H2,1H3,(H,12,13).
What are the key properties of 2-(5-oxo-1-propyl-4H-pyrazol-3-yl)acetic acid?
2-(5-oxo-1-propyl-4H-pyrazol-3-yl)acetic acid has a molecular weight of 184.19 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-oxo-1-propyl-4H-pyrazol-3-yl)acetic acid is sourced from PubChem (CID 61266879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).