ethyl 3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoate

C21H21ClN2O3 — CID 11222871

IUPACethyl 3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoate
SMILESCCOC(=O)CCc1cc(-c2ccc(Cl)cc2)n(-c2ccc(OC)cc2)n1
InChIInChI=1S/C21H21ClN2O3/c1-3-27-21(25)13-8-17-14-20(15-4-6-16(22)7-5-15)24(23-17)18-9-11-19(26-2)12-10-18/h4-7,9-12,14H,3,8,13H2,1-2H3
InChIKeyCTVFCMYPYJBKEY-UHFFFAOYSA-N
MW384.86 g/mol
LogP4.70
Rot. Bonds7

About ethyl 3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoate

ethyl 3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoate (PubChem CID 11222871) has the molecular formula C21H21ClN2O3 and a molecular weight of 384.86 g/mol. Its IUPAC name is ethyl 3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoate
PubChem CID11222871
Molecular FormulaC21H21ClN2O3
Molecular Weight384.86 g/mol
Exact Mass384.12
IUPAC Nameethyl 3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoate
SMILESCCOC(=O)CCc1cc(-c2ccc(Cl)cc2)n(-c2ccc(OC)cc2)n1
InChIInChI=1S/C21H21ClN2O3/c1-3-27-21(25)13-8-17-14-20(15-4-6-16(22)7-5-15)24(23-17)18-9-11-19(26-2)12-10-18/h4-7,9-12,14H,3,8,13H2,1-2H3
InChIKeyCTVFCMYPYJBKEY-UHFFFAOYSA-N
XLogP4.70
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.86
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(4-chlorophenyl)-5-(4-methoxyphenyl)pyrazol-3-yl]methanamine
CID 82071935
2-[3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propyl-ethylamino]-2-oxoacetic acid
CID 67867260
ethyl 3-[5-(4-chlorophenyl)-1-(4-methoxy-4-methylcyclohexa-1,5-dien-1-yl)pyrazol-3-yl]propanoate
CID 163507442
3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-hydroxy-N,2-dimethylpropanamide
CID 15002765
[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]methanamine
CID 82072095
3-[5-(4-chlorophenyl)-1-phenylpyrazol-3-yl]propanoic acid
CID 14497452
2-[1-(3,4-dimethylphenyl)-5-(4-methoxyphenyl)pyrazol-3-yl]ethanamine
CID 82071889
ethyl 2-[5-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)pyrazol-3-yl]oxyacetate
CID 46901523
5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazole-3-carbaldehyde
CID 54077138
2-[5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]acetamide
CID 139817988
(4-propan-2-ylphenyl) 3-[5-(4-methylphenyl)-1-phenylpyrazol-3-yl]propanoate
CID 54754354
N-[(3-fluoro-5-methylphenyl)methyl]-3-[5-(4-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanamide
CID 56602729

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoate?
The IUPAC name of ethyl 3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoate (CID 11222871) is ethyl 3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoate.
What is the SMILES notation for ethyl 3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoate?
The canonical SMILES for ethyl 3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoate is CCOC(=O)CCc1cc(-c2ccc(Cl)cc2)n(-c2ccc(OC)cc2)n1.
What is the InChIKey of ethyl 3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoate?
The InChIKey is CTVFCMYPYJBKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O3/c1-3-27-21(25)13-8-17-14-20(15-4-6-16(22)7-5-15)24(23-17)18-9-11-19(26-2)12-10-18/h4-7,9-12,14H,3,8,13H2,1-2H3.
What are the key properties of ethyl 3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoate?
ethyl 3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoate has a molecular weight of 384.86 g/mol, XLogP of 4.70, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoate is sourced from PubChem (CID 11222871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).