3-(4-ethoxycarbonylpyrazol-1-yl)-2-hydroxy-2-methylpropanoic acid

C10H14N2O5 — CID 81499103

IUPAC3-(4-ethoxycarbonylpyrazol-1-yl)-2-hydroxy-2-methylpropanoic acid
SMILESCCOC(=O)c1cnn(CC(C)(O)C(=O)O)c1
InChIInChI=1S/C10H14N2O5/c1-3-17-8(13)7-4-11-12(5-7)6-10(2,16)9(14)15/h4-5,16H,3,6H2,1-2H3,(H,14,15)
InChIKeyNVTAOFCULSTCLN-UHFFFAOYSA-N
MW242.23 g/mol
LogP-0.10
Rot. Bonds5

About 3-(4-ethoxycarbonylpyrazol-1-yl)-2-hydroxy-2-methylpropanoic acid

3-(4-ethoxycarbonylpyrazol-1-yl)-2-hydroxy-2-methylpropanoic acid (PubChem CID 81499103) has the molecular formula C10H14N2O5 and a molecular weight of 242.23 g/mol. Its IUPAC name is 3-(4-ethoxycarbonylpyrazol-1-yl)-2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(4-ethoxycarbonylpyrazol-1-yl)-2-hydroxy-2-methylpropanoic acid
PubChem CID81499103
Molecular FormulaC10H14N2O5
Molecular Weight242.23 g/mol
Exact Mass242.09
IUPAC Name3-(4-ethoxycarbonylpyrazol-1-yl)-2-hydroxy-2-methylpropanoic acid
SMILESCCOC(=O)c1cnn(CC(C)(O)C(=O)O)c1
InChIInChI=1S/C10H14N2O5/c1-3-17-8(13)7-4-11-12(5-7)6-10(2,16)9(14)15/h4-5,16H,3,6H2,1-2H3,(H,14,15)
InChIKeyNVTAOFCULSTCLN-UHFFFAOYSA-N
XLogP-0.10
TPSA101.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxycarbonylpyrazol-1-yl)-2-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-(4-ethoxycarbonylpyrazol-1-yl)-2-hydroxy-2-methylpropanoic acid (CID 81499103) is 3-(4-ethoxycarbonylpyrazol-1-yl)-2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-(4-ethoxycarbonylpyrazol-1-yl)-2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-(4-ethoxycarbonylpyrazol-1-yl)-2-hydroxy-2-methylpropanoic acid is CCOC(=O)c1cnn(CC(C)(O)C(=O)O)c1.
What is the InChIKey of 3-(4-ethoxycarbonylpyrazol-1-yl)-2-hydroxy-2-methylpropanoic acid?
The InChIKey is NVTAOFCULSTCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O5/c1-3-17-8(13)7-4-11-12(5-7)6-10(2,16)9(14)15/h4-5,16H,3,6H2,1-2H3,(H,14,15).
What are the key properties of 3-(4-ethoxycarbonylpyrazol-1-yl)-2-hydroxy-2-methylpropanoic acid?
3-(4-ethoxycarbonylpyrazol-1-yl)-2-hydroxy-2-methylpropanoic acid has a molecular weight of 242.23 g/mol, XLogP of -0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxycarbonylpyrazol-1-yl)-2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 81499103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).