3-(5-oxo-1,2-dihydropyrazol-3-yl)propanoic acid

C6H8N2O3 — CID 82416192

IUPAC3-(5-oxo-1,2-dihydropyrazol-3-yl)propanoic acid
SMILESO=C(O)CCc1cc(=O)[nH][nH]1
InChIInChI=1S/C6H8N2O3/c9-5-3-4(7-8-5)1-2-6(10)11/h3H,1-2H2,(H,10,11)(H2,7,8,9)
InChIKeyDORDAHVSHAJBET-UHFFFAOYSA-N
MW156.14 g/mol
LogP-0.28
Rot. Bonds3

About 3-(5-oxo-1,2-dihydropyrazol-3-yl)propanoic acid

3-(5-oxo-1,2-dihydropyrazol-3-yl)propanoic acid (PubChem CID 82416192) has the molecular formula C6H8N2O3 and a molecular weight of 156.14 g/mol. Its IUPAC name is 3-(5-oxo-1,2-dihydropyrazol-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(5-oxo-1,2-dihydropyrazol-3-yl)propanoic acid
PubChem CID82416192
Molecular FormulaC6H8N2O3
Molecular Weight156.14 g/mol
Exact Mass156.05
IUPAC Name3-(5-oxo-1,2-dihydropyrazol-3-yl)propanoic acid
SMILESO=C(O)CCc1cc(=O)[nH][nH]1
InChIInChI=1S/C6H8N2O3/c9-5-3-4(7-8-5)1-2-6(10)11/h3H,1-2H2,(H,10,11)(H2,7,8,9)
InChIKeyDORDAHVSHAJBET-UHFFFAOYSA-N
XLogP-0.28
TPSA85.95 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-Oxo-1,2-dihydropyrazol-3-yl)methyl]propanedioic acid
CID 11820089
Ethyl 3-(5-oxo-2,5-dihydro-1H-pyrazol-3-yl)propanoate
CID 54090984
2-(5-Oxo-1,2-dihydropyrazol-3-yl)butanoic acid
CID 66769139
4-(5-Oxo-1,2-dihydropyrazol-3-yl)butanoic acid
CID 82412596
3-(5,6-Dioxo-1,2-dihydropyridazin-3-yl)propanoic acid
CID 89584637
3-(5-Oxo-1,2-dihydropyrazol-3-yl)propanamide
CID 91308828
2-Oxo-3-(5-oxo-1,2-dihydropyrazol-3-yl)propanoic acid
CID 123665551
3-(6-oxo-1H-triazin-4-yl)propanoic acid
CID 140336815
3-(3-oxo-2,4-dihydro-1H-pyridazin-6-yl)propanoate
CID 4232774
3-(3-oxo-2,4-dihydro-1H-pyridazin-6-yl)propanoic acid
CID 4232775
3-(4-Methyl-5-oxo-1,2-dihydropyrazol-3-yl)propanoic acid
CID 82412564
3-(2-methyl-5-oxo-1H-pyrazol-3-yl)propanoic acid
CID 83846163

Frequently Asked Questions

What is the IUPAC name of 3-(5-oxo-1,2-dihydropyrazol-3-yl)propanoic acid?
The IUPAC name of 3-(5-oxo-1,2-dihydropyrazol-3-yl)propanoic acid (CID 82416192) is 3-(5-oxo-1,2-dihydropyrazol-3-yl)propanoic acid.
What is the SMILES notation for 3-(5-oxo-1,2-dihydropyrazol-3-yl)propanoic acid?
The canonical SMILES for 3-(5-oxo-1,2-dihydropyrazol-3-yl)propanoic acid is O=C(O)CCc1cc(=O)[nH][nH]1.
What is the InChIKey of 3-(5-oxo-1,2-dihydropyrazol-3-yl)propanoic acid?
The InChIKey is DORDAHVSHAJBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3/c9-5-3-4(7-8-5)1-2-6(10)11/h3H,1-2H2,(H,10,11)(H2,7,8,9).
What are the key properties of 3-(5-oxo-1,2-dihydropyrazol-3-yl)propanoic acid?
3-(5-oxo-1,2-dihydropyrazol-3-yl)propanoic acid has a molecular weight of 156.14 g/mol, XLogP of -0.28, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-oxo-1,2-dihydropyrazol-3-yl)propanoic acid is sourced from PubChem (CID 82416192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).