methyl 2-[3-(3-phenylmethoxyphenyl)pyrazol-1-yl]acetate

C19H18N2O3 — CID 134611925

IUPACmethyl 2-[3-(3-phenylmethoxyphenyl)pyrazol-1-yl]acetate
SMILESCOC(=O)Cn1ccc(-c2cccc(OCc3ccccc3)c2)n1
InChIInChI=1S/C19H18N2O3/c1-23-19(22)13-21-11-10-18(20-21)16-8-5-9-17(12-16)24-14-15-6-3-2-4-7-15/h2-12H,13-14H2,1H3
InChIKeyGKZBFPGILKJATL-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.30
Rot. Bonds6

About methyl 2-[3-(3-phenylmethoxyphenyl)pyrazol-1-yl]acetate

methyl 2-[3-(3-phenylmethoxyphenyl)pyrazol-1-yl]acetate (PubChem CID 134611925) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is methyl 2-[3-(3-phenylmethoxyphenyl)pyrazol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(3-phenylmethoxyphenyl)pyrazol-1-yl]acetate
PubChem CID134611925
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Namemethyl 2-[3-(3-phenylmethoxyphenyl)pyrazol-1-yl]acetate
SMILESCOC(=O)Cn1ccc(-c2cccc(OCc3ccccc3)c2)n1
InChIInChI=1S/C19H18N2O3/c1-23-19(22)13-21-11-10-18(20-21)16-8-5-9-17(12-16)24-14-15-6-3-2-4-7-15/h2-12H,13-14H2,1H3
InChIKeyGKZBFPGILKJATL-UHFFFAOYSA-N
XLogP3.30
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(3-phenylmethoxyphenyl)pyrazol-1-yl]acetate?
The IUPAC name of methyl 2-[3-(3-phenylmethoxyphenyl)pyrazol-1-yl]acetate (CID 134611925) is methyl 2-[3-(3-phenylmethoxyphenyl)pyrazol-1-yl]acetate.
What is the SMILES notation for methyl 2-[3-(3-phenylmethoxyphenyl)pyrazol-1-yl]acetate?
The canonical SMILES for methyl 2-[3-(3-phenylmethoxyphenyl)pyrazol-1-yl]acetate is COC(=O)Cn1ccc(-c2cccc(OCc3ccccc3)c2)n1.
What is the InChIKey of methyl 2-[3-(3-phenylmethoxyphenyl)pyrazol-1-yl]acetate?
The InChIKey is GKZBFPGILKJATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-23-19(22)13-21-11-10-18(20-21)16-8-5-9-17(12-16)24-14-15-6-3-2-4-7-15/h2-12H,13-14H2,1H3.
What are the key properties of methyl 2-[3-(3-phenylmethoxyphenyl)pyrazol-1-yl]acetate?
methyl 2-[3-(3-phenylmethoxyphenyl)pyrazol-1-yl]acetate has a molecular weight of 322.36 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(3-phenylmethoxyphenyl)pyrazol-1-yl]acetate is sourced from PubChem (CID 134611925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).