2-methoxy-2-(1H-pyrazol-4-yl)propanoic acid

C7H10N2O3 — CID 83827170

IUPAC2-methoxy-2-(1H-pyrazol-4-yl)propanoic acid
SMILESCOC(C)(C(=O)O)c1cn[nH]c1
InChIInChI=1S/C7H10N2O3/c1-7(12-2,6(10)11)5-3-8-9-4-5/h3-4H,1-2H3,(H,8,9)(H,10,11)
InChIKeyNAYUWJOGWWSHLN-UHFFFAOYSA-N
MW170.17 g/mol
LogP0.36
Rot. Bonds3

About 2-methoxy-2-(1H-pyrazol-4-yl)propanoic acid

2-methoxy-2-(1H-pyrazol-4-yl)propanoic acid (PubChem CID 83827170) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is 2-methoxy-2-(1H-pyrazol-4-yl)propanoic acid.

Molecular Properties

Compound Name2-methoxy-2-(1H-pyrazol-4-yl)propanoic acid
PubChem CID83827170
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name2-methoxy-2-(1H-pyrazol-4-yl)propanoic acid
SMILESCOC(C)(C(=O)O)c1cn[nH]c1
InChIInChI=1S/C7H10N2O3/c1-7(12-2,6(10)11)5-3-8-9-4-5/h3-4H,1-2H3,(H,8,9)(H,10,11)
InChIKeyNAYUWJOGWWSHLN-UHFFFAOYSA-N
XLogP0.36
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methoxy-2-(1H-pyrazol-4-yl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-(1H-pyrazol-4-yl)propanoic acid?
The IUPAC name of 2-methoxy-2-(1H-pyrazol-4-yl)propanoic acid (CID 83827170) is 2-methoxy-2-(1H-pyrazol-4-yl)propanoic acid.
What is the SMILES notation for 2-methoxy-2-(1H-pyrazol-4-yl)propanoic acid?
The canonical SMILES for 2-methoxy-2-(1H-pyrazol-4-yl)propanoic acid is COC(C)(C(=O)O)c1cn[nH]c1.
What is the InChIKey of 2-methoxy-2-(1H-pyrazol-4-yl)propanoic acid?
The InChIKey is NAYUWJOGWWSHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-7(12-2,6(10)11)5-3-8-9-4-5/h3-4H,1-2H3,(H,8,9)(H,10,11).
What are the key properties of 2-methoxy-2-(1H-pyrazol-4-yl)propanoic acid?
2-methoxy-2-(1H-pyrazol-4-yl)propanoic acid has a molecular weight of 170.17 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-(1H-pyrazol-4-yl)propanoic acid is sourced from PubChem (CID 83827170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).