potassium 2-methoxy-2-(4-pyrazol-1-ylphenyl)acetate

C12H11KN2O3 — CID 67388986

IUPACpotassium 2-methoxy-2-(4-pyrazol-1-ylphenyl)acetate
SMILESCOC(C(=O)[O-])c1ccc(-n2cccn2)cc1.[K+]
InChIInChI=1S/C12H12N2O3.K/c1-17-11(12(15)16)9-3-5-10(6-4-9)14-8-2-7-13-14;/h2-8,11H,1H3,(H,15,16);/q;+1/p-1
InChIKeyUDWBGIILNIIGRX-UHFFFAOYSA-M
MW270.33 g/mol
LogP-2.69
Rot. Bonds4

About potassium 2-methoxy-2-(4-pyrazol-1-ylphenyl)acetate

potassium 2-methoxy-2-(4-pyrazol-1-ylphenyl)acetate (PubChem CID 67388986) has the molecular formula C12H11KN2O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is potassium 2-methoxy-2-(4-pyrazol-1-ylphenyl)acetate.

Molecular Properties

Compound Namepotassium 2-methoxy-2-(4-pyrazol-1-ylphenyl)acetate
PubChem CID67388986
Molecular FormulaC12H11KN2O3
Molecular Weight270.33 g/mol
Exact Mass270.04
IUPAC Namepotassium 2-methoxy-2-(4-pyrazol-1-ylphenyl)acetate
SMILESCOC(C(=O)[O-])c1ccc(-n2cccn2)cc1.[K+]
InChIInChI=1S/C12H12N2O3.K/c1-17-11(12(15)16)9-3-5-10(6-4-9)14-8-2-7-13-14;/h2-8,11H,1H3,(H,15,16);/q;+1/p-1
InChIKeyUDWBGIILNIIGRX-UHFFFAOYSA-M
XLogP-2.69
TPSA67.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 5-2.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

potassium;methanol;2-methoxy-2-(4-pyrazol-1-ylphenyl)acetate;4-pyrazol-1-ylbenzaldehyde
CID 160556202
4-pyrazol-1-ylbenzoate
CID 5158283
methyl 3,4-dihydroxy-4-(4-pyrazol-1-ylphenyl)butanoate
CID 171896348
4-amino-4-(4-pyrazol-1-ylphenyl)butanoic acid
CID 117365098
4-amino-3-methoxy-N-[1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;hydrochloride
CID 120593675
ethyl 3,4-dihydroxy-4-(4-pyrazol-1-ylphenyl)butanoate
CID 171898140
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-4-pyrazol-1-ylbenzamide
CID 110889458
3-ethoxy-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]propanamide
CID 95990109
3-amino-2-methyl-N-[1-(4-pyrazol-1-ylphenyl)ethyl]butanamide
CID 120501837
N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]propanamide
CID 118723776
1-(4-pyrazol-1-ylphenyl)propan-1-amine
CID 103693301
(2R)-2-methoxy-2-phenyl-N-(6-pyrazol-1-yl-3-pyridinyl)acetamide
CID 95279874

Frequently Asked Questions

What is the IUPAC name of potassium 2-methoxy-2-(4-pyrazol-1-ylphenyl)acetate?
The IUPAC name of potassium 2-methoxy-2-(4-pyrazol-1-ylphenyl)acetate (CID 67388986) is potassium 2-methoxy-2-(4-pyrazol-1-ylphenyl)acetate.
What is the SMILES notation for potassium 2-methoxy-2-(4-pyrazol-1-ylphenyl)acetate?
The canonical SMILES for potassium 2-methoxy-2-(4-pyrazol-1-ylphenyl)acetate is COC(C(=O)[O-])c1ccc(-n2cccn2)cc1.[K+].
What is the InChIKey of potassium 2-methoxy-2-(4-pyrazol-1-ylphenyl)acetate?
The InChIKey is UDWBGIILNIIGRX-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H12N2O3.K/c1-17-11(12(15)16)9-3-5-10(6-4-9)14-8-2-7-13-14;/h2-8,11H,1H3,(H,15,16);/q;+1/p-1.
What are the key properties of potassium 2-methoxy-2-(4-pyrazol-1-ylphenyl)acetate?
potassium 2-methoxy-2-(4-pyrazol-1-ylphenyl)acetate has a molecular weight of 270.33 g/mol, XLogP of -2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-methoxy-2-(4-pyrazol-1-ylphenyl)acetate is sourced from PubChem (CID 67388986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).