ethyl 2-[5-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)pyrazol-3-yl]oxyacetate

C23H26N2O4 — CID 46901523

IUPACethyl 2-[5-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)pyrazol-3-yl]oxyacetate
SMILESCCOC(=O)COc1cc(-c2ccc(OC)cc2)n(-c2ccc(C(C)C)cc2)n1
InChIInChI=1S/C23H26N2O4/c1-5-28-23(26)15-29-22-14-21(18-8-12-20(27-4)13-9-18)25(24-22)19-10-6-17(7-11-19)16(2)3/h6-14,16H,5,15H2,1-4H3
InChIKeyVRUUGPBJUDAFAH-UHFFFAOYSA-N
MW394.47 g/mol
LogP4.61
Rot. Bonds8

About ethyl 2-[5-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)pyrazol-3-yl]oxyacetate

ethyl 2-[5-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)pyrazol-3-yl]oxyacetate (PubChem CID 46901523) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is ethyl 2-[5-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)pyrazol-3-yl]oxyacetate.

Molecular Properties

Compound Nameethyl 2-[5-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)pyrazol-3-yl]oxyacetate
PubChem CID46901523
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Nameethyl 2-[5-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)pyrazol-3-yl]oxyacetate
SMILESCCOC(=O)COc1cc(-c2ccc(OC)cc2)n(-c2ccc(C(C)C)cc2)n1
InChIInChI=1S/C23H26N2O4/c1-5-28-23(26)15-29-22-14-21(18-8-12-20(27-4)13-9-18)25(24-22)19-10-6-17(7-11-19)16(2)3/h6-14,16H,5,15H2,1-4H3
InChIKeyVRUUGPBJUDAFAH-UHFFFAOYSA-N
XLogP4.61
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[3-methoxy-1-(4-methoxyphenyl)pyrazol-5-yl]phenoxy]acetic acid
CID 58806820
ethyl 3-(4-fluorophenyl)-3-[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]propanoate
CID 14871160
ethyl 3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoate
CID 11222871
[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl] acetate
CID 150185883
3-methoxy-1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazole
CID 173202359
2-[4-[3-(2-methoxyethoxy)-1-(4-methoxyphenyl)pyrazol-5-yl]phenoxy]ethylurea
CID 21091064
N-hydroxy-4-[5-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)pyrazol-3-yl]-N-methylpiperidine-1-carboxamide
CID 59486783
3-[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]-2-(4-methylphenyl)propanal
CID 142851613
ethyl (E)-3-[1,5-bis(4-methoxyphenyl)pyrazol-3-yl]-3-(4-methylphenyl)prop-2-enoate
CID 14871154
[4-[1-(4-methoxyphenyl)-3-propan-2-ylpyrazol-5-yl]phenyl]methanamine;hydrochloride
CID 21090936
ethyl 2-[5-(3-chlorophenyl)-1-methylpyrazol-3-yl]oxyacetate
CID 167058272
ethyl 2-[5-(5-chloro-3-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate
CID 174197181

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)pyrazol-3-yl]oxyacetate?
The IUPAC name of ethyl 2-[5-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)pyrazol-3-yl]oxyacetate (CID 46901523) is ethyl 2-[5-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)pyrazol-3-yl]oxyacetate.
What is the SMILES notation for ethyl 2-[5-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)pyrazol-3-yl]oxyacetate?
The canonical SMILES for ethyl 2-[5-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)pyrazol-3-yl]oxyacetate is CCOC(=O)COc1cc(-c2ccc(OC)cc2)n(-c2ccc(C(C)C)cc2)n1.
What is the InChIKey of ethyl 2-[5-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)pyrazol-3-yl]oxyacetate?
The InChIKey is VRUUGPBJUDAFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-5-28-23(26)15-29-22-14-21(18-8-12-20(27-4)13-9-18)25(24-22)19-10-6-17(7-11-19)16(2)3/h6-14,16H,5,15H2,1-4H3.
What are the key properties of ethyl 2-[5-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)pyrazol-3-yl]oxyacetate?
ethyl 2-[5-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)pyrazol-3-yl]oxyacetate has a molecular weight of 394.47 g/mol, XLogP of 4.61, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)pyrazol-3-yl]oxyacetate is sourced from PubChem (CID 46901523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).