2-[1-(2-methylpropyl)pyrazol-4-yl]oxyacetic acid

C9H14N2O3 — CID 156587215

IUPAC2-[1-(2-methylpropyl)pyrazol-4-yl]oxyacetic acid
SMILESCC(C)Cn1cc(OCC(=O)O)cn1
InChIInChI=1S/C9H14N2O3/c1-7(2)4-11-5-8(3-10-11)14-6-9(12)13/h3,5,7H,4,6H2,1-2H3,(H,12,13)
InChIKeyXYMRQWWVPYIISB-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.00
Rot. Bonds5

About 2-[1-(2-methylpropyl)pyrazol-4-yl]oxyacetic acid

2-[1-(2-methylpropyl)pyrazol-4-yl]oxyacetic acid (PubChem CID 156587215) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 2-[1-(2-methylpropyl)pyrazol-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(2-methylpropyl)pyrazol-4-yl]oxyacetic acid
PubChem CID156587215
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name2-[1-(2-methylpropyl)pyrazol-4-yl]oxyacetic acid
SMILESCC(C)Cn1cc(OCC(=O)O)cn1
InChIInChI=1S/C9H14N2O3/c1-7(2)4-11-5-8(3-10-11)14-6-9(12)13/h3,5,7H,4,6H2,1-2H3,(H,12,13)
InChIKeyXYMRQWWVPYIISB-UHFFFAOYSA-N
XLogP1.00
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2-methylpropyl)pyrazol-4-yl] benzoate
CID 167413942
N-(2-methylpropyl)-2-(1-propylpyrazol-4-yl)oxyacetamide
CID 116804964
1-[1-(2-methylpropyl)pyrazol-4-yl]propan-1-one
CID 62728545
methyl 2-(1-ethylpyrazol-4-yl)oxyacetate
CID 116800028
2-[4-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]acetic acid
CID 166637756
2-(1-ethylpyrazol-4-yl)oxy-N-pentan-3-ylacetamide
CID 116804587
2-fluoro-1-[1-(2-methylpropyl)pyrazol-4-yl]ethanone
CID 122192591
[1-(2-methylpropyl)pyrazol-4-yl]methanol
CID 62729998
2-(methylamino)-N-[1-(2-methylpropyl)pyrazol-4-yl]acetamide
CID 119809382
2-(1-ethylpyrazol-4-yl)oxy-N-propylacetamide
CID 116804713
2-amino-3-(4-propan-2-yloxypyrazol-1-yl)propanamide
CID 165486417
trans-(1R,2R)-2-[1-(2-methylpropyl)pyrazole-4-carbonyl]cyclopropane-1-carboxylic acid
CID 99993401

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylpropyl)pyrazol-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-(2-methylpropyl)pyrazol-4-yl]oxyacetic acid (CID 156587215) is 2-[1-(2-methylpropyl)pyrazol-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(2-methylpropyl)pyrazol-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(2-methylpropyl)pyrazol-4-yl]oxyacetic acid is CC(C)Cn1cc(OCC(=O)O)cn1.
What is the InChIKey of 2-[1-(2-methylpropyl)pyrazol-4-yl]oxyacetic acid?
The InChIKey is XYMRQWWVPYIISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-7(2)4-11-5-8(3-10-11)14-6-9(12)13/h3,5,7H,4,6H2,1-2H3,(H,12,13).
What are the key properties of 2-[1-(2-methylpropyl)pyrazol-4-yl]oxyacetic acid?
2-[1-(2-methylpropyl)pyrazol-4-yl]oxyacetic acid has a molecular weight of 198.22 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylpropyl)pyrazol-4-yl]oxyacetic acid is sourced from PubChem (CID 156587215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).