benzyl 2-(1H-pyrazol-4-yloxy)acetate

C12H12N2O3 — CID 154815213

IUPACbenzyl 2-(1H-pyrazol-4-yloxy)acetate
SMILESO=C(COc1cn[nH]c1)OCc1ccccc1
InChIInChI=1S/C12H12N2O3/c15-12(9-16-11-6-13-14-7-11)17-8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,13,14)
InChIKeyBFJLNUASBBFVMW-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.53
Rot. Bonds5

About benzyl 2-(1H-pyrazol-4-yloxy)acetate

benzyl 2-(1H-pyrazol-4-yloxy)acetate (PubChem CID 154815213) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is benzyl 2-(1H-pyrazol-4-yloxy)acetate.

Molecular Properties

Compound Namebenzyl 2-(1H-pyrazol-4-yloxy)acetate
PubChem CID154815213
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Namebenzyl 2-(1H-pyrazol-4-yloxy)acetate
SMILESO=C(COc1cn[nH]c1)OCc1ccccc1
InChIInChI=1S/C12H12N2O3/c15-12(9-16-11-6-13-14-7-11)17-8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,13,14)
InChIKeyBFJLNUASBBFVMW-UHFFFAOYSA-N
XLogP1.53
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(2-phenoxyacetyl)oxymethyl]phenyl]methyl 2-phenoxyacetate
CID 2362107
benzyl 2-(4-iodophenoxy)acetate
CID 70249415
benzyl 2-(4-benzoylphenoxy)acetate
CID 7839644
4-(2-phenylethoxy)-1H-pyrazole
CID 138985948
benzyl 2-[4-(2-aminoacetyl)phenoxy]acetate
CID 67246007
2-phenylmethoxy-4-(1H-pyrazol-4-yl)benzamide
CID 68761090
(2-oxo-2-phenylmethoxyethyl) 2-methoxyacetate
CID 20645227
benzyl 2-aminoacetate
CID 122130027
3-(1H-pyrazol-4-yloxymethyl)phenol
CID 117233494
phenylmethoxymethyl 2-(4-aminophenoxy)acetate
CID 102940304
benzyl 2-(2,4,5-trichlorophenoxy)acetate
CID 71395919
2-[2-(carboxymethoxy)ethoxy]acetic acid;2-[2-(2-oxo-2-phenylmethoxyethoxy)ethoxy]acetic acid
CID 158939829

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(1H-pyrazol-4-yloxy)acetate?
The IUPAC name of benzyl 2-(1H-pyrazol-4-yloxy)acetate (CID 154815213) is benzyl 2-(1H-pyrazol-4-yloxy)acetate.
What is the SMILES notation for benzyl 2-(1H-pyrazol-4-yloxy)acetate?
The canonical SMILES for benzyl 2-(1H-pyrazol-4-yloxy)acetate is O=C(COc1cn[nH]c1)OCc1ccccc1.
What is the InChIKey of benzyl 2-(1H-pyrazol-4-yloxy)acetate?
The InChIKey is BFJLNUASBBFVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c15-12(9-16-11-6-13-14-7-11)17-8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,13,14).
What are the key properties of benzyl 2-(1H-pyrazol-4-yloxy)acetate?
benzyl 2-(1H-pyrazol-4-yloxy)acetate has a molecular weight of 232.24 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(1H-pyrazol-4-yloxy)acetate is sourced from PubChem (CID 154815213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).