3-(1,5-dimethylpyrazol-4-yl)-3-hydroxy-2-methylpropanoic acid

C9H14N2O3 — CID 79584040

IUPAC3-(1,5-dimethylpyrazol-4-yl)-3-hydroxy-2-methylpropanoic acid
SMILESCc1c(C(O)C(C)C(=O)O)cnn1C
InChIInChI=1S/C9H14N2O3/c1-5(9(13)14)8(12)7-4-10-11(3)6(7)2/h4-5,8,12H,1-3H3,(H,13,14)
InChIKeyWSUYDFDCIQSPHM-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.48
Rot. Bonds3

About 3-(1,5-dimethylpyrazol-4-yl)-3-hydroxy-2-methylpropanoic acid

3-(1,5-dimethylpyrazol-4-yl)-3-hydroxy-2-methylpropanoic acid (PubChem CID 79584040) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 3-(1,5-dimethylpyrazol-4-yl)-3-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(1,5-dimethylpyrazol-4-yl)-3-hydroxy-2-methylpropanoic acid
PubChem CID79584040
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name3-(1,5-dimethylpyrazol-4-yl)-3-hydroxy-2-methylpropanoic acid
SMILESCc1c(C(O)C(C)C(=O)O)cnn1C
InChIInChI=1S/C9H14N2O3/c1-5(9(13)14)8(12)7-4-10-11(3)6(7)2/h4-5,8,12H,1-3H3,(H,13,14)
InChIKeyWSUYDFDCIQSPHM-UHFFFAOYSA-N
XLogP0.48
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1,5-dimethylpyrazol-4-yl)-3-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-(1,5-dimethylpyrazol-4-yl)-3-hydroxy-2-methylpropanoic acid (CID 79584040) is 3-(1,5-dimethylpyrazol-4-yl)-3-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-(1,5-dimethylpyrazol-4-yl)-3-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-(1,5-dimethylpyrazol-4-yl)-3-hydroxy-2-methylpropanoic acid is Cc1c(C(O)C(C)C(=O)O)cnn1C.
What is the InChIKey of 3-(1,5-dimethylpyrazol-4-yl)-3-hydroxy-2-methylpropanoic acid?
The InChIKey is WSUYDFDCIQSPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-5(9(13)14)8(12)7-4-10-11(3)6(7)2/h4-5,8,12H,1-3H3,(H,13,14).
What are the key properties of 3-(1,5-dimethylpyrazol-4-yl)-3-hydroxy-2-methylpropanoic acid?
3-(1,5-dimethylpyrazol-4-yl)-3-hydroxy-2-methylpropanoic acid has a molecular weight of 198.22 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,5-dimethylpyrazol-4-yl)-3-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 79584040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).