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

C24H22N2O5 — CID 7172802

IUPACethyl 2-[2-[(3R)-2-(furan-2-carbonyl)-5-phenyl-3,4-dihydropyrazol-3-yl]phenoxy]acetate
SMILESCCOC(=O)COc1ccccc1[C@H]1CC(c2ccccc2)=NN1C(=O)c1ccco1
InChIInChI=1S/C24H22N2O5/c1-2-29-23(27)16-31-21-12-7-6-11-18(21)20-15-19(17-9-4-3-5-10-17)25-26(20)24(28)22-13-8-14-30-22/h3-14,20H,2,15-16H2,1H3/t20-/m1/s1
InChIKeyURDOZSNRDSCFSP-HXUWFJFHSA-N
MW418.45 g/mol
LogP4.21
Rot. Bonds7

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

ethyl 2-[2-[(3R)-2-(furan-2-carbonyl)-5-phenyl-3,4-dihydropyrazol-3-yl]phenoxy]acetate (PubChem CID 7172802) has the molecular formula C24H22N2O5 and a molecular weight of 418.45 g/mol. Its IUPAC name is ethyl 2-[2-[(3R)-2-(furan-2-carbonyl)-5-phenyl-3,4-dihydropyrazol-3-yl]phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(3R)-2-(furan-2-carbonyl)-5-phenyl-3,4-dihydropyrazol-3-yl]phenoxy]acetate
PubChem CID7172802
Molecular FormulaC24H22N2O5
Molecular Weight418.45 g/mol
Exact Mass418.15
IUPAC Nameethyl 2-[2-[(3R)-2-(furan-2-carbonyl)-5-phenyl-3,4-dihydropyrazol-3-yl]phenoxy]acetate
SMILESCCOC(=O)COc1ccccc1[C@H]1CC(c2ccccc2)=NN1C(=O)c1ccco1
InChIInChI=1S/C24H22N2O5/c1-2-29-23(27)16-31-21-12-7-6-11-18(21)20-15-19(17-9-4-3-5-10-17)25-26(20)24(28)22-13-8-14-30-22/h3-14,20H,2,15-16H2,1H3/t20-/m1/s1
InChIKeyURDOZSNRDSCFSP-HXUWFJFHSA-N
XLogP4.21
TPSA81.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[2-[(3R)-2-(furan-2-carbonyl)-5-phenyl-3,4-dihydropyrazol-3-yl]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

ethyl 2-[2-[2-(furan-2-carbonyl)-5-phenyl-3,4-dihydropyrazol-3-yl]phenoxy]acetate
CID 2973260
ethyl 2-[2-[(3S)-2-benzoyl-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]phenoxy]acetate
CID 40958188
ethyl 2-[2-[(3R)-5-(4-methoxyphenyl)-2-(thiophene-2-carbonyl)-3,4-dihydropyrazol-3-yl]phenoxy]acetate
CID 41092635
furan-2-yl-[3-(2-hydroxyphenyl)-5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 86805889
2-[2-[(3R)-2-benzoyl-5-phenyl-3,4-dihydropyrazol-3-yl]phenoxy]acetohydrazide
CID 41130391
N-[2-[5-(4-ethoxyphenyl)-2-(furan-2-carbonyl)-3,4-dihydropyrazol-3-yl]phenyl]methanesulfonamide
CID 119053192
N-[2-[(3S)-5-(4-ethoxyphenyl)-2-(furan-2-carbonyl)-3,4-dihydropyrazol-3-yl]phenyl]methanesulfonamide
CID 124847686
2-[2-[(3R)-2-benzoyl-5-phenyl-3,4-dihydropyrazol-3-yl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 100706177
furan-2-yl-(5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl)methanone
CID 91653669
[(3S)-5-(3-fluorophenyl)-3-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone
CID 97310305
ethyl 2-[4-[(3S)-3-(furan-2-yl)-2-(thiophene-2-carbonyl)-3,4-dihydropyrazol-5-yl]phenoxy]acetate
CID 41029660
[(3R)-3-(4-ethoxyphenyl)-5-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone
CID 135556951

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(3R)-2-(furan-2-carbonyl)-5-phenyl-3,4-dihydropyrazol-3-yl]phenoxy]acetate?
The IUPAC name of ethyl 2-[2-[(3R)-2-(furan-2-carbonyl)-5-phenyl-3,4-dihydropyrazol-3-yl]phenoxy]acetate (CID 7172802) is ethyl 2-[2-[(3R)-2-(furan-2-carbonyl)-5-phenyl-3,4-dihydropyrazol-3-yl]phenoxy]acetate.
What is the SMILES notation for ethyl 2-[2-[(3R)-2-(furan-2-carbonyl)-5-phenyl-3,4-dihydropyrazol-3-yl]phenoxy]acetate?
The canonical SMILES for ethyl 2-[2-[(3R)-2-(furan-2-carbonyl)-5-phenyl-3,4-dihydropyrazol-3-yl]phenoxy]acetate is CCOC(=O)COc1ccccc1[C@H]1CC(c2ccccc2)=NN1C(=O)c1ccco1.
What is the InChIKey of ethyl 2-[2-[(3R)-2-(furan-2-carbonyl)-5-phenyl-3,4-dihydropyrazol-3-yl]phenoxy]acetate?
The InChIKey is URDOZSNRDSCFSP-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H22N2O5/c1-2-29-23(27)16-31-21-12-7-6-11-18(21)20-15-19(17-9-4-3-5-10-17)25-26(20)24(28)22-13-8-14-30-22/h3-14,20H,2,15-16H2,1H3/t20-/m1/s1.
What are the key properties of ethyl 2-[2-[(3R)-2-(furan-2-carbonyl)-5-phenyl-3,4-dihydropyrazol-3-yl]phenoxy]acetate?
ethyl 2-[2-[(3R)-2-(furan-2-carbonyl)-5-phenyl-3,4-dihydropyrazol-3-yl]phenoxy]acetate has a molecular weight of 418.45 g/mol, XLogP of 4.21, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(3R)-2-(furan-2-carbonyl)-5-phenyl-3,4-dihydropyrazol-3-yl]phenoxy]acetate is sourced from PubChem (CID 7172802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).