ethyl 2-[3-[2-(5-ethyl-3,4-diphenylpyrazol-1-yl)phenyl]phenoxy]acetate

C33H30N2O3 — CID 56925509

IUPACethyl 2-[3-[2-(5-ethyl-3,4-diphenylpyrazol-1-yl)phenyl]phenoxy]acetate
SMILESCCOC(=O)[14CH2]Oc1cccc(-c2ccccc2-n2nc(-c3ccccc3)c(-c3ccccc3)c2CC)c1
InChIInChI=1S/C33H30N2O3/c1-3-29-32(24-14-7-5-8-15-24)33(25-16-9-6-10-17-25)34-35(29)30-21-12-11-20-28(30)26-18-13-19-27(22-26)38-23-31(36)37-4-2/h5-22H,3-4,23H2,1-2H3/i23+2
InChIKeyADVYDDCPSQJVEB-DQBITZTASA-N
MW504.61 g/mol
LogP7.38
Rot. Bonds9

About ethyl 2-[3-[2-(5-ethyl-3,4-diphenylpyrazol-1-yl)phenyl]phenoxy]acetate

ethyl 2-[3-[2-(5-ethyl-3,4-diphenylpyrazol-1-yl)phenyl]phenoxy]acetate (PubChem CID 56925509) has the molecular formula C33H30N2O3 and a molecular weight of 504.61 g/mol. Its IUPAC name is ethyl 2-[3-[2-(5-ethyl-3,4-diphenylpyrazol-1-yl)phenyl]phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[3-[2-(5-ethyl-3,4-diphenylpyrazol-1-yl)phenyl]phenoxy]acetate
PubChem CID56925509
Molecular FormulaC33H30N2O3
Molecular Weight504.61 g/mol
Exact Mass504.23
IUPAC Nameethyl 2-[3-[2-(5-ethyl-3,4-diphenylpyrazol-1-yl)phenyl]phenoxy]acetate
SMILESCCOC(=O)[14CH2]Oc1cccc(-c2ccccc2-n2nc(-c3ccccc3)c(-c3ccccc3)c2CC)c1
InChIInChI=1S/C33H30N2O3/c1-3-29-32(24-14-7-5-8-15-24)33(25-16-9-6-10-17-25)34-35(29)30-21-12-11-20-28(30)26-18-13-19-27(22-26)38-23-31(36)37-4-2/h5-22H,3-4,23H2,1-2H3/i23+2
InChIKeyADVYDDCPSQJVEB-DQBITZTASA-N
XLogP7.38
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.61
LogP ≤ 57.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[3-[2-(5-ethyl-3,4-diphenylpyrazol-1-yl)phenyl]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

2-[3-[2-[5-ethyl-3-(4-fluorophenyl)-4-phenylpyrazol-1-yl]phenyl]phenoxy]acetic acid
CID 56925599
tert-butyl 2-[3-[2-[5-ethyl-3-(4-methoxyphenyl)-4-phenylpyrazol-1-yl]phenyl]phenoxy]acetate
CID 71192943
5-[(3-chloro-2-methylphenoxy)methyl]-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;2-[3-[2-(5-ethyl-3,4-diphenylpyrazol-1-yl)phenyl]phenoxy]acetic acid
CID 158556691
1-[2-(3-ethoxyphenyl)phenyl]-2,5-dimethylpyrrole-3-carboxylic acid
CID 69124488
2-[3-[2-(5-oxo-3,4-diphenyl-1,2,4-triazol-1-yl)phenyl]phenoxy]acetic acid
CID 12020854
3-(3-ethoxyphenyl)-2-methylbenzoic acid
CID 53226301
ethyl 4-(trifluoromethoxy)-2-[3-(trifluoromethoxy)phenyl]benzoate
CID 134633502
ethyl 2-(4,5-diphenyltriazol-2-yl)acetate
CID 59363121
ethyl 1-methyl-3-phenylpyrazole-4-carboxylate
CID 14003898
ethyl 2,5-dimethyl-3,4-diphenylbenzoate
CID 102473305
methyl 2-[(2,4,5-triphenylpyrazol-3-yl)methoxy]benzoate
CID 11612322
ethyl 2-phenylpyridine-3-carboxylate
CID 10846916

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[2-(5-ethyl-3,4-diphenylpyrazol-1-yl)phenyl]phenoxy]acetate?
The IUPAC name of ethyl 2-[3-[2-(5-ethyl-3,4-diphenylpyrazol-1-yl)phenyl]phenoxy]acetate (CID 56925509) is ethyl 2-[3-[2-(5-ethyl-3,4-diphenylpyrazol-1-yl)phenyl]phenoxy]acetate.
What is the SMILES notation for ethyl 2-[3-[2-(5-ethyl-3,4-diphenylpyrazol-1-yl)phenyl]phenoxy]acetate?
The canonical SMILES for ethyl 2-[3-[2-(5-ethyl-3,4-diphenylpyrazol-1-yl)phenyl]phenoxy]acetate is CCOC(=O)[14CH2]Oc1cccc(-c2ccccc2-n2nc(-c3ccccc3)c(-c3ccccc3)c2CC)c1.
What is the InChIKey of ethyl 2-[3-[2-(5-ethyl-3,4-diphenylpyrazol-1-yl)phenyl]phenoxy]acetate?
The InChIKey is ADVYDDCPSQJVEB-DQBITZTASA-N. The full InChI is InChI=1S/C33H30N2O3/c1-3-29-32(24-14-7-5-8-15-24)33(25-16-9-6-10-17-25)34-35(29)30-21-12-11-20-28(30)26-18-13-19-27(22-26)38-23-31(36)37-4-2/h5-22H,3-4,23H2,1-2H3/i23+2.
What are the key properties of ethyl 2-[3-[2-(5-ethyl-3,4-diphenylpyrazol-1-yl)phenyl]phenoxy]acetate?
ethyl 2-[3-[2-(5-ethyl-3,4-diphenylpyrazol-1-yl)phenyl]phenoxy]acetate has a molecular weight of 504.61 g/mol, XLogP of 7.38, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[2-(5-ethyl-3,4-diphenylpyrazol-1-yl)phenyl]phenoxy]acetate is sourced from PubChem (CID 56925509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).