ethyl 2-[4-[3-(4-methoxyanilino)pyrazol-1-yl]phenyl]acetate

C20H21N3O3 — CID 139631069

IUPACethyl 2-[4-[3-(4-methoxyanilino)pyrazol-1-yl]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(-n2ccc(Nc3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C20H21N3O3/c1-3-26-20(24)14-15-4-8-17(9-5-15)23-13-12-19(22-23)21-16-6-10-18(25-2)11-7-16/h4-13H,3,14H2,1-2H3,(H,21,22)
InChIKeyURJJXDOIBKNFTP-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.73
Rot. Bonds7

About ethyl 2-[4-[3-(4-methoxyanilino)pyrazol-1-yl]phenyl]acetate

ethyl 2-[4-[3-(4-methoxyanilino)pyrazol-1-yl]phenyl]acetate (PubChem CID 139631069) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is ethyl 2-[4-[3-(4-methoxyanilino)pyrazol-1-yl]phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[3-(4-methoxyanilino)pyrazol-1-yl]phenyl]acetate
PubChem CID139631069
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Nameethyl 2-[4-[3-(4-methoxyanilino)pyrazol-1-yl]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(-n2ccc(Nc3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C20H21N3O3/c1-3-26-20(24)14-15-4-8-17(9-5-15)23-13-12-19(22-23)21-16-6-10-18(25-2)11-7-16/h4-13H,3,14H2,1-2H3,(H,21,22)
InChIKeyURJJXDOIBKNFTP-UHFFFAOYSA-N
XLogP3.73
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[4-[3-(4-methoxyanilino)pyrazol-1-yl]phenyl]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

ethyl 2-[4-[(1-cyclohexa-1,5-dien-1-ylpyrazol-3-yl)amino]phenyl]acetate
CID 70362165
1-(4-methoxyphenyl)-N-phenylpyrazol-3-amine
CID 21272312
2-(4-methoxyphenyl)-N-[4-(3-methylpyrazol-1-yl)phenyl]acetamide
CID 35590496
methyl 2-[4-(4-methoxyanilino)phenyl]acetate
CID 82535736
ethyl 2-(6-methoxynaphthalen-2-yl)acetate
CID 11265053
2-[[1-(4-methoxyphenyl)pyrazol-3-yl]amino]ethanol
CID 86587981
ethyl 2-[2-(4-methoxyphenyl)ethanethioyl]sulfanylacetate
CID 14294104
ethyl 2-[4-[[2-[(4-methoxyphenyl)sulfonyl-methylamino]acetyl]amino]phenyl]acetate
CID 100794256
2-(4-methoxyphenyl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]acetamide
CID 112990366
[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-(4-methoxyphenyl)acetate
CID 7699065
3-[2-(4-methoxyphenyl)acetyl]oxypropyl 2-(4-methoxyphenyl)acetate
CID 55393887
ethyl 2-[3-[[1-(3-methoxyphenyl)-4-oxopyridazin-3-yl]methyl]phenyl]acetate
CID 157053112

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[3-(4-methoxyanilino)pyrazol-1-yl]phenyl]acetate?
The IUPAC name of ethyl 2-[4-[3-(4-methoxyanilino)pyrazol-1-yl]phenyl]acetate (CID 139631069) is ethyl 2-[4-[3-(4-methoxyanilino)pyrazol-1-yl]phenyl]acetate.
What is the SMILES notation for ethyl 2-[4-[3-(4-methoxyanilino)pyrazol-1-yl]phenyl]acetate?
The canonical SMILES for ethyl 2-[4-[3-(4-methoxyanilino)pyrazol-1-yl]phenyl]acetate is CCOC(=O)Cc1ccc(-n2ccc(Nc3ccc(OC)cc3)n2)cc1.
What is the InChIKey of ethyl 2-[4-[3-(4-methoxyanilino)pyrazol-1-yl]phenyl]acetate?
The InChIKey is URJJXDOIBKNFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-3-26-20(24)14-15-4-8-17(9-5-15)23-13-12-19(22-23)21-16-6-10-18(25-2)11-7-16/h4-13H,3,14H2,1-2H3,(H,21,22).
What are the key properties of ethyl 2-[4-[3-(4-methoxyanilino)pyrazol-1-yl]phenyl]acetate?
ethyl 2-[4-[3-(4-methoxyanilino)pyrazol-1-yl]phenyl]acetate has a molecular weight of 351.41 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[3-(4-methoxyanilino)pyrazol-1-yl]phenyl]acetate is sourced from PubChem (CID 139631069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).