4-oxo-4-(1-propylpyrazol-4-yl)butanoic acid

C10H14N2O3 — CID 103572838

IUPAC4-oxo-4-(1-propylpyrazol-4-yl)butanoic acid
SMILESCCCn1cc(C(=O)CCC(=O)O)cn1
InChIInChI=1S/C10H14N2O3/c1-2-5-12-7-8(6-11-12)9(13)3-4-10(14)15/h6-7H,2-5H2,1H3,(H,14,15)
InChIKeyVTMDWITYDMOWSG-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.34
Rot. Bonds6

About 4-oxo-4-(1-propylpyrazol-4-yl)butanoic acid

4-oxo-4-(1-propylpyrazol-4-yl)butanoic acid (PubChem CID 103572838) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 4-oxo-4-(1-propylpyrazol-4-yl)butanoic acid.

Molecular Properties

Compound Name4-oxo-4-(1-propylpyrazol-4-yl)butanoic acid
PubChem CID103572838
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name4-oxo-4-(1-propylpyrazol-4-yl)butanoic acid
SMILESCCCn1cc(C(=O)CCC(=O)O)cn1
InChIInChI=1S/C10H14N2O3/c1-2-5-12-7-8(6-11-12)9(13)3-4-10(14)15/h6-7H,2-5H2,1H3,(H,14,15)
InChIKeyVTMDWITYDMOWSG-UHFFFAOYSA-N
XLogP1.34
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-(1-propylpyrazol-4-yl)butanoic acid?
The IUPAC name of 4-oxo-4-(1-propylpyrazol-4-yl)butanoic acid (CID 103572838) is 4-oxo-4-(1-propylpyrazol-4-yl)butanoic acid.
What is the SMILES notation for 4-oxo-4-(1-propylpyrazol-4-yl)butanoic acid?
The canonical SMILES for 4-oxo-4-(1-propylpyrazol-4-yl)butanoic acid is CCCn1cc(C(=O)CCC(=O)O)cn1.
What is the InChIKey of 4-oxo-4-(1-propylpyrazol-4-yl)butanoic acid?
The InChIKey is VTMDWITYDMOWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-2-5-12-7-8(6-11-12)9(13)3-4-10(14)15/h6-7H,2-5H2,1H3,(H,14,15).
What are the key properties of 4-oxo-4-(1-propylpyrazol-4-yl)butanoic acid?
4-oxo-4-(1-propylpyrazol-4-yl)butanoic acid has a molecular weight of 210.23 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-(1-propylpyrazol-4-yl)butanoic acid is sourced from PubChem (CID 103572838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).