methyl 2-[(2,3-diphenyl-3,4-dihydropyrazole-5-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate

C22H23N3O5 — CID 56580467

IUPACmethyl 2-[(2,3-diphenyl-3,4-dihydropyrazole-5-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)C(=O)C1=NN(c2ccccc2)C(c2ccccc2)C1
InChIInChI=1S/C22H23N3O5/c1-29-20(26)14-24(15-21(27)30-2)22(28)18-13-19(16-9-5-3-6-10-16)25(23-18)17-11-7-4-8-12-17/h3-12,19H,13-15H2,1-2H3
InChIKeyCHMYIDMXFSTJTI-UHFFFAOYSA-N
MW409.44 g/mol
LogP2.17
Rot. Bonds7

About methyl 2-[(2,3-diphenyl-3,4-dihydropyrazole-5-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate

methyl 2-[(2,3-diphenyl-3,4-dihydropyrazole-5-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate (PubChem CID 56580467) has the molecular formula C22H23N3O5 and a molecular weight of 409.44 g/mol. Its IUPAC name is methyl 2-[(2,3-diphenyl-3,4-dihydropyrazole-5-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2,3-diphenyl-3,4-dihydropyrazole-5-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate
PubChem CID56580467
Molecular FormulaC22H23N3O5
Molecular Weight409.44 g/mol
Exact Mass409.16
IUPAC Namemethyl 2-[(2,3-diphenyl-3,4-dihydropyrazole-5-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)C(=O)C1=NN(c2ccccc2)C(c2ccccc2)C1
InChIInChI=1S/C22H23N3O5/c1-29-20(26)14-24(15-21(27)30-2)22(28)18-13-19(16-9-5-3-6-10-16)25(23-18)17-11-7-4-8-12-17/h3-12,19H,13-15H2,1-2H3
InChIKeyCHMYIDMXFSTJTI-UHFFFAOYSA-N
XLogP2.17
TPSA88.51 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 2-[(2,3-diphenyl-3,4-dihydropyrazole-5-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate with MolForge

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Related Compounds

N-ethyl-N-(2-hydroxyethyl)-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide
CID 78855099
methyl 5-[(2,3-diphenyl-3,4-dihydropyrazole-5-carbonyl)amino]pentanoate
CID 60590935
(3R)-N-methoxy-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide
CID 38013267
(3S)-N-ethoxy-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide
CID 36628252
sodium 2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate
CID 24844262
[2-(methylcarbamoylamino)-2-oxoethyl] 2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate
CID 55560806
cyclopentyl (3R)-2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate
CID 95761896
(3R)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide
CID 97008607
(3S)-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide
CID 25472948
(2,3-diphenyl-3,4-dihydropyrazol-5-yl)-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone
CID 112814329
(3R)-2-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazole-5-carboxylic acid
CID 95656986
(3S)-2-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazole-5-carboxylic acid
CID 95657115

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2,3-diphenyl-3,4-dihydropyrazole-5-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate?
The IUPAC name of methyl 2-[(2,3-diphenyl-3,4-dihydropyrazole-5-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate (CID 56580467) is methyl 2-[(2,3-diphenyl-3,4-dihydropyrazole-5-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate.
What is the SMILES notation for methyl 2-[(2,3-diphenyl-3,4-dihydropyrazole-5-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate?
The canonical SMILES for methyl 2-[(2,3-diphenyl-3,4-dihydropyrazole-5-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate is COC(=O)CN(CC(=O)OC)C(=O)C1=NN(c2ccccc2)C(c2ccccc2)C1.
What is the InChIKey of methyl 2-[(2,3-diphenyl-3,4-dihydropyrazole-5-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate?
The InChIKey is CHMYIDMXFSTJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5/c1-29-20(26)14-24(15-21(27)30-2)22(28)18-13-19(16-9-5-3-6-10-16)25(23-18)17-11-7-4-8-12-17/h3-12,19H,13-15H2,1-2H3.
What are the key properties of methyl 2-[(2,3-diphenyl-3,4-dihydropyrazole-5-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate?
methyl 2-[(2,3-diphenyl-3,4-dihydropyrazole-5-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate has a molecular weight of 409.44 g/mol, XLogP of 2.17, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2,3-diphenyl-3,4-dihydropyrazole-5-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate is sourced from PubChem (CID 56580467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).