methyl 2-[6-(1-acetylpyrazol-4-yl)naphthalen-2-yl]oxyacetate

C18H16N2O4 — CID 139927419

IUPACmethyl 2-[6-(1-acetylpyrazol-4-yl)naphthalen-2-yl]oxyacetate
SMILESCOC(=O)COc1ccc2cc(-c3cnn(C(C)=O)c3)ccc2c1
InChIInChI=1S/C18H16N2O4/c1-12(21)20-10-16(9-19-20)14-3-4-15-8-17(6-5-13(15)7-14)24-11-18(22)23-2/h3-10H,11H2,1-2H3
InChIKeyANIXWYDDGBLULK-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.92
Rot. Bonds4

About methyl 2-[6-(1-acetylpyrazol-4-yl)naphthalen-2-yl]oxyacetate

methyl 2-[6-(1-acetylpyrazol-4-yl)naphthalen-2-yl]oxyacetate (PubChem CID 139927419) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is methyl 2-[6-(1-acetylpyrazol-4-yl)naphthalen-2-yl]oxyacetate.

Molecular Properties

Compound Namemethyl 2-[6-(1-acetylpyrazol-4-yl)naphthalen-2-yl]oxyacetate
PubChem CID139927419
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Namemethyl 2-[6-(1-acetylpyrazol-4-yl)naphthalen-2-yl]oxyacetate
SMILESCOC(=O)COc1ccc2cc(-c3cnn(C(C)=O)c3)ccc2c1
InChIInChI=1S/C18H16N2O4/c1-12(21)20-10-16(9-19-20)14-3-4-15-8-17(6-5-13(15)7-14)24-11-18(22)23-2/h3-10H,11H2,1-2H3
InChIKeyANIXWYDDGBLULK-UHFFFAOYSA-N
XLogP2.92
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-(7-methoxynaphthalen-2-yl)oxyacetate
CID 156858982
methyl 2-[6-(6-methoxy-1,3-benzoxazol-2-yl)naphthalen-2-yl]oxyacetate
CID 151661661
methyl 2-[4-(4-methylphenyl)phenoxy]acetate
CID 2791912
methyl 2-[3-(2-methoxy-2-oxoethoxy)phenoxy]acetate
CID 6420588
methyl 2-[6-(2-methoxy-2-oxoethoxy)naphthalen-2-yl]propanoate
CID 59253984
methyl 2-[4-(2H-tetrazol-5-yl)phenoxy]acetate
CID 59205718
methyl 2-[6-[2-(1-benzylindol-3-yl)-1,3-oxazol-5-yl]naphthalen-2-yl]oxyacetate
CID 86603519
methyl 2-(1-ethylpyrazol-4-yl)oxyacetate
CID 116800028
methyl 2-(3-chloro-4-fluorophenoxy)acetate
CID 43235932
methyl 2-(6-carbamimidoylnaphthalen-2-yl)oxyacetate
CID 10904773
methyl 2-[(6-chloro-3-pyridinyl)oxy]acetate
CID 86099194
[4-[4-(2-methoxy-2-oxoethoxy)phenyl]phenyl]azanium chloride
CID 68860648

Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-(1-acetylpyrazol-4-yl)naphthalen-2-yl]oxyacetate?
The IUPAC name of methyl 2-[6-(1-acetylpyrazol-4-yl)naphthalen-2-yl]oxyacetate (CID 139927419) is methyl 2-[6-(1-acetylpyrazol-4-yl)naphthalen-2-yl]oxyacetate.
What is the SMILES notation for methyl 2-[6-(1-acetylpyrazol-4-yl)naphthalen-2-yl]oxyacetate?
The canonical SMILES for methyl 2-[6-(1-acetylpyrazol-4-yl)naphthalen-2-yl]oxyacetate is COC(=O)COc1ccc2cc(-c3cnn(C(C)=O)c3)ccc2c1.
What is the InChIKey of methyl 2-[6-(1-acetylpyrazol-4-yl)naphthalen-2-yl]oxyacetate?
The InChIKey is ANIXWYDDGBLULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-12(21)20-10-16(9-19-20)14-3-4-15-8-17(6-5-13(15)7-14)24-11-18(22)23-2/h3-10H,11H2,1-2H3.
What are the key properties of methyl 2-[6-(1-acetylpyrazol-4-yl)naphthalen-2-yl]oxyacetate?
methyl 2-[6-(1-acetylpyrazol-4-yl)naphthalen-2-yl]oxyacetate has a molecular weight of 324.34 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[6-(1-acetylpyrazol-4-yl)naphthalen-2-yl]oxyacetate is sourced from PubChem (CID 139927419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).