2-(2-methyl-5-oxo-1H-pyrazol-3-yl)propanoic acid

C7H10N2O3 — CID 83846162

IUPAC2-(2-methyl-5-oxo-1H-pyrazol-3-yl)propanoic acid
SMILESCC(C(=O)O)c1cc(=O)[nH]n1C
InChIInChI=1S/C7H10N2O3/c1-4(7(11)12)5-3-6(10)8-9(5)2/h3-4H,1-2H3,(H,8,10)(H,11,12)
InChIKeyQZHSWVBLCPNHOL-UHFFFAOYSA-N
MW170.17 g/mol
LogP-0.10
Rot. Bonds2

About 2-(2-methyl-5-oxo-1H-pyrazol-3-yl)propanoic acid

2-(2-methyl-5-oxo-1H-pyrazol-3-yl)propanoic acid (PubChem CID 83846162) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is 2-(2-methyl-5-oxo-1H-pyrazol-3-yl)propanoic acid.

Molecular Properties

Compound Name2-(2-methyl-5-oxo-1H-pyrazol-3-yl)propanoic acid
PubChem CID83846162
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name2-(2-methyl-5-oxo-1H-pyrazol-3-yl)propanoic acid
SMILESCC(C(=O)O)c1cc(=O)[nH]n1C
InChIInChI=1S/C7H10N2O3/c1-4(7(11)12)5-3-6(10)8-9(5)2/h3-4H,1-2H3,(H,8,10)(H,11,12)
InChIKeyQZHSWVBLCPNHOL-UHFFFAOYSA-N
XLogP-0.10
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-5-oxo-1H-pyrazol-3-yl)propanoic acid?
The IUPAC name of 2-(2-methyl-5-oxo-1H-pyrazol-3-yl)propanoic acid (CID 83846162) is 2-(2-methyl-5-oxo-1H-pyrazol-3-yl)propanoic acid.
What is the SMILES notation for 2-(2-methyl-5-oxo-1H-pyrazol-3-yl)propanoic acid?
The canonical SMILES for 2-(2-methyl-5-oxo-1H-pyrazol-3-yl)propanoic acid is CC(C(=O)O)c1cc(=O)[nH]n1C.
What is the InChIKey of 2-(2-methyl-5-oxo-1H-pyrazol-3-yl)propanoic acid?
The InChIKey is QZHSWVBLCPNHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-4(7(11)12)5-3-6(10)8-9(5)2/h3-4H,1-2H3,(H,8,10)(H,11,12).
What are the key properties of 2-(2-methyl-5-oxo-1H-pyrazol-3-yl)propanoic acid?
2-(2-methyl-5-oxo-1H-pyrazol-3-yl)propanoic acid has a molecular weight of 170.17 g/mol, XLogP of -0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-5-oxo-1H-pyrazol-3-yl)propanoic acid is sourced from PubChem (CID 83846162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).