ethyl 2-[2-[(3R)-5-(4-methoxyphenyl)-2-(thiophene-2-carbonyl)-3,4-dihydropyrazol-3-yl]phenoxy]acetate

C25H24N2O5S — CID 41092635

IUPACethyl 2-[2-[(3R)-5-(4-methoxyphenyl)-2-(thiophene-2-carbonyl)-3,4-dihydropyrazol-3-yl]phenoxy]acetate
SMILESCCOC(=O)COc1ccccc1[C@H]1CC(c2ccc(OC)cc2)=NN1C(=O)c1cccs1
InChIInChI=1S/C25H24N2O5S/c1-3-31-24(28)16-32-22-8-5-4-7-19(22)21-15-20(17-10-12-18(30-2)13-11-17)26-27(21)25(29)23-9-6-14-33-23/h4-14,21H,3,15-16H2,1-2H3/t21-/m1/s1
InChIKeyFRXPSNLWKAAHFZ-OAQYLSRUSA-N
MW464.54 g/mol
LogP4.69
Rot. Bonds8

About ethyl 2-[2-[(3R)-5-(4-methoxyphenyl)-2-(thiophene-2-carbonyl)-3,4-dihydropyrazol-3-yl]phenoxy]acetate

ethyl 2-[2-[(3R)-5-(4-methoxyphenyl)-2-(thiophene-2-carbonyl)-3,4-dihydropyrazol-3-yl]phenoxy]acetate (PubChem CID 41092635) has the molecular formula C25H24N2O5S and a molecular weight of 464.54 g/mol. Its IUPAC name is ethyl 2-[2-[(3R)-5-(4-methoxyphenyl)-2-(thiophene-2-carbonyl)-3,4-dihydropyrazol-3-yl]phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(3R)-5-(4-methoxyphenyl)-2-(thiophene-2-carbonyl)-3,4-dihydropyrazol-3-yl]phenoxy]acetate
PubChem CID41092635
Molecular FormulaC25H24N2O5S
Molecular Weight464.54 g/mol
Exact Mass464.14
IUPAC Nameethyl 2-[2-[(3R)-5-(4-methoxyphenyl)-2-(thiophene-2-carbonyl)-3,4-dihydropyrazol-3-yl]phenoxy]acetate
SMILESCCOC(=O)COc1ccccc1[C@H]1CC(c2ccc(OC)cc2)=NN1C(=O)c1cccs1
InChIInChI=1S/C25H24N2O5S/c1-3-31-24(28)16-32-22-8-5-4-7-19(22)21-15-20(17-10-12-18(30-2)13-11-17)26-27(21)25(29)23-9-6-14-33-23/h4-14,21H,3,15-16H2,1-2H3/t21-/m1/s1
InChIKeyFRXPSNLWKAAHFZ-OAQYLSRUSA-N
XLogP4.69
TPSA77.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.54
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[2-[(3R)-5-(4-methoxyphenyl)-2-(thiophene-2-carbonyl)-3,4-dihydropyrazol-3-yl]phenoxy]acetate with MolForge

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Related Compounds

ethyl 2-[2-[(3S)-2-benzoyl-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]phenoxy]acetate
CID 40958188
ethyl 2-[4-[(3S)-3-(furan-2-yl)-2-(thiophene-2-carbonyl)-3,4-dihydropyrazol-5-yl]phenoxy]acetate
CID 41029660
N-[4-[3-(2-methoxyphenyl)-2-(thiophene-2-carbonyl)-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide
CID 4541031
[(3R)-3-(2-hydroxyphenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone
CID 7172770
ethyl 2-[2-[2-(furan-2-carbonyl)-5-phenyl-3,4-dihydropyrazol-3-yl]phenoxy]acetate
CID 2973260
ethyl 2-[2-[(3R)-2-(furan-2-carbonyl)-5-phenyl-3,4-dihydropyrazol-3-yl]phenoxy]acetate
CID 7172802
[3-(2-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone
CID 3760620
N-[3-[(3S)-3-(2-ethoxyphenyl)-2-(thiophene-2-carbonyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 41043951
[(3S)-5-(4-methoxyphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone
CID 42588911
[5-(3,4-dimethoxyphenyl)-3-(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone
CID 3734456
[(3R)-3-(3-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone
CID 97063985
4-[3-(2-methoxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
CID 2885924

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(3R)-5-(4-methoxyphenyl)-2-(thiophene-2-carbonyl)-3,4-dihydropyrazol-3-yl]phenoxy]acetate?
The IUPAC name of ethyl 2-[2-[(3R)-5-(4-methoxyphenyl)-2-(thiophene-2-carbonyl)-3,4-dihydropyrazol-3-yl]phenoxy]acetate (CID 41092635) is ethyl 2-[2-[(3R)-5-(4-methoxyphenyl)-2-(thiophene-2-carbonyl)-3,4-dihydropyrazol-3-yl]phenoxy]acetate.
What is the SMILES notation for ethyl 2-[2-[(3R)-5-(4-methoxyphenyl)-2-(thiophene-2-carbonyl)-3,4-dihydropyrazol-3-yl]phenoxy]acetate?
The canonical SMILES for ethyl 2-[2-[(3R)-5-(4-methoxyphenyl)-2-(thiophene-2-carbonyl)-3,4-dihydropyrazol-3-yl]phenoxy]acetate is CCOC(=O)COc1ccccc1[C@H]1CC(c2ccc(OC)cc2)=NN1C(=O)c1cccs1.
What is the InChIKey of ethyl 2-[2-[(3R)-5-(4-methoxyphenyl)-2-(thiophene-2-carbonyl)-3,4-dihydropyrazol-3-yl]phenoxy]acetate?
The InChIKey is FRXPSNLWKAAHFZ-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H24N2O5S/c1-3-31-24(28)16-32-22-8-5-4-7-19(22)21-15-20(17-10-12-18(30-2)13-11-17)26-27(21)25(29)23-9-6-14-33-23/h4-14,21H,3,15-16H2,1-2H3/t21-/m1/s1.
What are the key properties of ethyl 2-[2-[(3R)-5-(4-methoxyphenyl)-2-(thiophene-2-carbonyl)-3,4-dihydropyrazol-3-yl]phenoxy]acetate?
ethyl 2-[2-[(3R)-5-(4-methoxyphenyl)-2-(thiophene-2-carbonyl)-3,4-dihydropyrazol-3-yl]phenoxy]acetate has a molecular weight of 464.54 g/mol, XLogP of 4.69, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(3R)-5-(4-methoxyphenyl)-2-(thiophene-2-carbonyl)-3,4-dihydropyrazol-3-yl]phenoxy]acetate is sourced from PubChem (CID 41092635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).