2-[(1,5-dimethylpyrazol-4-yl)-hydroxymethyl]butanoic acid

C10H16N2O3 — CID 79584041

IUPAC2-[(1,5-dimethylpyrazol-4-yl)-hydroxymethyl]butanoic acid
SMILESCCC(C(=O)O)C(O)c1cnn(C)c1C
InChIInChI=1S/C10H16N2O3/c1-4-7(10(14)15)9(13)8-5-11-12(3)6(8)2/h5,7,9,13H,4H2,1-3H3,(H,14,15)
InChIKeyZFLZGVUTPKADFF-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.87
Rot. Bonds4

About 2-[(1,5-dimethylpyrazol-4-yl)-hydroxymethyl]butanoic acid

2-[(1,5-dimethylpyrazol-4-yl)-hydroxymethyl]butanoic acid (PubChem CID 79584041) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-[(1,5-dimethylpyrazol-4-yl)-hydroxymethyl]butanoic acid.

Molecular Properties

Compound Name2-[(1,5-dimethylpyrazol-4-yl)-hydroxymethyl]butanoic acid
PubChem CID79584041
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name2-[(1,5-dimethylpyrazol-4-yl)-hydroxymethyl]butanoic acid
SMILESCCC(C(=O)O)C(O)c1cnn(C)c1C
InChIInChI=1S/C10H16N2O3/c1-4-7(10(14)15)9(13)8-5-11-12(3)6(8)2/h5,7,9,13H,4H2,1-3H3,(H,14,15)
InChIKeyZFLZGVUTPKADFF-UHFFFAOYSA-N
XLogP0.87
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1,5-dimethylpyrazol-4-yl)-hydroxymethyl]butanoic acid?
The IUPAC name of 2-[(1,5-dimethylpyrazol-4-yl)-hydroxymethyl]butanoic acid (CID 79584041) is 2-[(1,5-dimethylpyrazol-4-yl)-hydroxymethyl]butanoic acid.
What is the SMILES notation for 2-[(1,5-dimethylpyrazol-4-yl)-hydroxymethyl]butanoic acid?
The canonical SMILES for 2-[(1,5-dimethylpyrazol-4-yl)-hydroxymethyl]butanoic acid is CCC(C(=O)O)C(O)c1cnn(C)c1C.
What is the InChIKey of 2-[(1,5-dimethylpyrazol-4-yl)-hydroxymethyl]butanoic acid?
The InChIKey is ZFLZGVUTPKADFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-4-7(10(14)15)9(13)8-5-11-12(3)6(8)2/h5,7,9,13H,4H2,1-3H3,(H,14,15).
What are the key properties of 2-[(1,5-dimethylpyrazol-4-yl)-hydroxymethyl]butanoic acid?
2-[(1,5-dimethylpyrazol-4-yl)-hydroxymethyl]butanoic acid has a molecular weight of 212.25 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,5-dimethylpyrazol-4-yl)-hydroxymethyl]butanoic acid is sourced from PubChem (CID 79584041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).