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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenoxy]-N,N-diethylpropan-1-amine
CID 70168149
3-[3-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenoxy]-N,N-dimethylpropan-1-amine
CID 70167384
ethyl 2-[4-hydroxy-3-(5-phenyl-1H-pyrazol-4-yl)phenoxy]acetate
CID 71739294
ethyl 2-[3-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)phenoxy]acetate
CID 18971687
4-(3-methoxyphenyl)-1,5-dihydroindeno[1,2-d]pyrimidin-2-one
CID 44606008
N-tert-butyl-4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)benzamide
CID 18415871
ethyl 2-[3-(furan-3-yl)phenoxy]acetate
CID 123534132
2-[2-(dimethylamino)ethoxy]ethyl N-[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]carbamate
CID 18415966
2-[3-(2-methylphenyl)phenoxy]acetic acid
CID 39346407
2-[3-(5-ethoxycarbonyl-2H-triazol-4-yl)phenoxy]acetic acid
CID 169400608
ethyl 3-oxo-2,5-dihydroindeno[1,2-c]pyridazine-4-carboxylate
CID 10848653
ethyl 5-[3-(3-ethoxy-3-oxopropoxy)phenyl]-2H-triazole-4-carboxylate
CID 169400957

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).