3-(5-methylpyrazol-1-yl)propanoic acid

C7H10N2O2 — CID 814994

IUPAC3-(5-methylpyrazol-1-yl)propanoic acid
SMILESCc1ccnn1CCC(=O)O
InChIInChI=1S/C7H10N2O2/c1-6-2-4-8-9(6)5-3-7(10)11/h2,4H,3,5H2,1H3,(H,10,11)
InChIKeyAVWPEIKOPXXROD-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.67
Rot. Bonds3

About 3-(5-methylpyrazol-1-yl)propanoic acid

3-(5-methylpyrazol-1-yl)propanoic acid (PubChem CID 814994) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 3-(5-methylpyrazol-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(5-methylpyrazol-1-yl)propanoic acid
PubChem CID814994
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name3-(5-methylpyrazol-1-yl)propanoic acid
SMILESCc1ccnn1CCC(=O)O
InChIInChI=1S/C7H10N2O2/c1-6-2-4-8-9(6)5-3-7(10)11/h2,4H,3,5H2,1H3,(H,10,11)
InChIKeyAVWPEIKOPXXROD-UHFFFAOYSA-N
XLogP0.67
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methylpyrazol-1-yl)propanoic acid?
The IUPAC name of 3-(5-methylpyrazol-1-yl)propanoic acid (CID 814994) is 3-(5-methylpyrazol-1-yl)propanoic acid.
What is the SMILES notation for 3-(5-methylpyrazol-1-yl)propanoic acid?
The canonical SMILES for 3-(5-methylpyrazol-1-yl)propanoic acid is Cc1ccnn1CCC(=O)O.
What is the InChIKey of 3-(5-methylpyrazol-1-yl)propanoic acid?
The InChIKey is AVWPEIKOPXXROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-6-2-4-8-9(6)5-3-7(10)11/h2,4H,3,5H2,1H3,(H,10,11).
What are the key properties of 3-(5-methylpyrazol-1-yl)propanoic acid?
3-(5-methylpyrazol-1-yl)propanoic acid has a molecular weight of 154.17 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylpyrazol-1-yl)propanoic acid is sourced from PubChem (CID 814994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).