ethyl 2-[3-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenoxy]acetate

C20H18N2O3 — CID 18415841

IUPACethyl 2-[3-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenoxy]acetate
SMILESCCOC(=O)COc1cccc(-c2n[nH]c3c2Cc2ccccc2-3)c1
InChIInChI=1S/C20H18N2O3/c1-2-24-18(23)12-25-15-8-5-7-14(10-15)19-17-11-13-6-3-4-9-16(13)20(17)22-21-19/h3-10H,2,11-12H2,1H3,(H,21,22)
InChIKeyDOMDPVJKTBOZGZ-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.59
Rot. Bonds5

About ethyl 2-[3-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenoxy]acetate

ethyl 2-[3-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenoxy]acetate (PubChem CID 18415841) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is ethyl 2-[3-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[3-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenoxy]acetate
PubChem CID18415841
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Nameethyl 2-[3-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenoxy]acetate
SMILESCCOC(=O)COc1cccc(-c2n[nH]c3c2Cc2ccccc2-3)c1
InChIInChI=1S/C20H18N2O3/c1-2-24-18(23)12-25-15-8-5-7-14(10-15)19-17-11-13-6-3-4-9-16(13)20(17)22-21-19/h3-10H,2,11-12H2,1H3,(H,21,22)
InChIKeyDOMDPVJKTBOZGZ-UHFFFAOYSA-N
XLogP3.59
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenoxy]acetate?
The IUPAC name of ethyl 2-[3-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenoxy]acetate (CID 18415841) is ethyl 2-[3-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenoxy]acetate.
What is the SMILES notation for ethyl 2-[3-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenoxy]acetate?
The canonical SMILES for ethyl 2-[3-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenoxy]acetate is CCOC(=O)COc1cccc(-c2n[nH]c3c2Cc2ccccc2-3)c1.
What is the InChIKey of ethyl 2-[3-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenoxy]acetate?
The InChIKey is DOMDPVJKTBOZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-2-24-18(23)12-25-15-8-5-7-14(10-15)19-17-11-13-6-3-4-9-16(13)20(17)22-21-19/h3-10H,2,11-12H2,1H3,(H,21,22).
What are the key properties of ethyl 2-[3-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenoxy]acetate?
ethyl 2-[3-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenoxy]acetate has a molecular weight of 334.38 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenoxy]acetate is sourced from PubChem (CID 18415841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).