methyl 2-[(1-ethylpyrazol-4-yl)oxymethyl]benzoate

C14H16N2O3 — CID 116800061

IUPACmethyl 2-[(1-ethylpyrazol-4-yl)oxymethyl]benzoate
SMILESCCn1cc(OCc2ccccc2C(=O)OC)cn1
InChIInChI=1S/C14H16N2O3/c1-3-16-9-12(8-15-16)19-10-11-6-4-5-7-13(11)14(17)18-2/h4-9H,3,10H2,1-2H3
InChIKeyQNPYHGZRSNXZQZ-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.27
Rot. Bonds5

About methyl 2-[(1-ethylpyrazol-4-yl)oxymethyl]benzoate

methyl 2-[(1-ethylpyrazol-4-yl)oxymethyl]benzoate (PubChem CID 116800061) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is methyl 2-[(1-ethylpyrazol-4-yl)oxymethyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[(1-ethylpyrazol-4-yl)oxymethyl]benzoate
PubChem CID116800061
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Namemethyl 2-[(1-ethylpyrazol-4-yl)oxymethyl]benzoate
SMILESCCn1cc(OCc2ccccc2C(=O)OC)cn1
InChIInChI=1S/C14H16N2O3/c1-3-16-9-12(8-15-16)19-10-11-6-4-5-7-13(11)14(17)18-2/h4-9H,3,10H2,1-2H3
InChIKeyQNPYHGZRSNXZQZ-UHFFFAOYSA-N
XLogP2.27
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-bromophenyl)methoxy]-1-ethylpyrazole
CID 116804675
methyl 2-[(5-bromo-3-pyridinyl)oxymethyl]benzoate
CID 82976044
2-[2-(1-ethylpyrazol-4-yl)oxyethoxy]benzoic acid
CID 116800060
methyl 2-[[4-(hydroxymethyl)phenoxy]methyl]benzoate
CID 82975676
4-[(1-ethylpyrazol-4-yl)oxymethyl]-5-methylthiophene-2-carboxylic acid
CID 116800042
methyl 4-(1-ethylpyrazol-4-yl)oxy-2-methylpyrimidine-5-carboxylate
CID 114213943
methyl 2-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]benzoate
CID 82970137
2-acetyl-5-[(2-methoxycarbonylphenyl)methoxy]benzoic acid
CID 91863774
3-bromo-4-[(1-ethylpyrazol-4-yl)oxymethyl]benzoic acid
CID 102765633
methyl 2-[(2-methoxyphenoxy)methyl]benzoate
CID 82975589
methyl 4-(1-ethylpyrazol-4-yl)oxybutanoate
CID 116800049
1-[2-(1-ethylpyrazol-4-yl)oxyphenyl]propan-1-one
CID 116801587

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-ethylpyrazol-4-yl)oxymethyl]benzoate?
The IUPAC name of methyl 2-[(1-ethylpyrazol-4-yl)oxymethyl]benzoate (CID 116800061) is methyl 2-[(1-ethylpyrazol-4-yl)oxymethyl]benzoate.
What is the SMILES notation for methyl 2-[(1-ethylpyrazol-4-yl)oxymethyl]benzoate?
The canonical SMILES for methyl 2-[(1-ethylpyrazol-4-yl)oxymethyl]benzoate is CCn1cc(OCc2ccccc2C(=O)OC)cn1.
What is the InChIKey of methyl 2-[(1-ethylpyrazol-4-yl)oxymethyl]benzoate?
The InChIKey is QNPYHGZRSNXZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-3-16-9-12(8-15-16)19-10-11-6-4-5-7-13(11)14(17)18-2/h4-9H,3,10H2,1-2H3.
What are the key properties of methyl 2-[(1-ethylpyrazol-4-yl)oxymethyl]benzoate?
methyl 2-[(1-ethylpyrazol-4-yl)oxymethyl]benzoate has a molecular weight of 260.29 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-ethylpyrazol-4-yl)oxymethyl]benzoate is sourced from PubChem (CID 116800061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).