[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxylate

C25H23N3O5 — CID 51917518

IUPAC[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxylate
SMILESCOc1cccc(-c2nn(-c3ccccc3)cc2C(=O)O[C@@H](C)C(=O)NCc2ccco2)c1
InChIInChI=1S/C25H23N3O5/c1-17(24(29)26-15-21-12-7-13-32-21)33-25(30)22-16-28(19-9-4-3-5-10-19)27-23(22)18-8-6-11-20(14-18)31-2/h3-14,16-17H,15H2,1-2H3,(H,26,29)/t17-/m0/s1
InChIKeyZTOUGLLKRWEXHB-KRWDZBQOSA-N
MW445.48 g/mol
LogP4.00
Rot. Bonds8

About [(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxylate

[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxylate (PubChem CID 51917518) has the molecular formula C25H23N3O5 and a molecular weight of 445.48 g/mol. Its IUPAC name is [(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxylate.

Molecular Properties

Compound Name[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxylate
PubChem CID51917518
Molecular FormulaC25H23N3O5
Molecular Weight445.48 g/mol
Exact Mass445.16
IUPAC Name[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxylate
SMILESCOc1cccc(-c2nn(-c3ccccc3)cc2C(=O)O[C@@H](C)C(=O)NCc2ccco2)c1
InChIInChI=1S/C25H23N3O5/c1-17(24(29)26-15-21-12-7-13-32-21)33-25(30)22-16-28(19-9-4-3-5-10-19)27-23(22)18-8-6-11-20(14-18)31-2/h3-14,16-17H,15H2,1-2H3,(H,26,29)/t17-/m0/s1
InChIKeyZTOUGLLKRWEXHB-KRWDZBQOSA-N
XLogP4.00
TPSA95.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxylate 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

[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl] 3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxylate
CID 35834289
[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 1,3-diphenylpyrazole-5-carboxylate
CID 7211158
N-(furan-2-ylmethyl)-2-(3-methoxyphenoxy)propanamide
CID 19203901
3-(3-methoxyphenyl)-N-pentan-2-yl-1-phenylpyrazole-4-carboxamide
CID 42988857
[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 1,3-diphenylpyrazole-4-carboxylate
CID 2580677
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] naphthalene-1-carboxylate
CID 7377262
[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxylate
CID 43028216
N-(3-hydroxypropyl)-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 78795829
N-(furan-2-ylmethyl)-2-(4-methyl-1-phenylpyrazol-3-yl)oxypropanamide
CID 102552868
[1-(methylcarbamoylamino)-1-oxopropan-2-yl] 1,3-diphenylpyrazole-4-carboxylate
CID 16531009
(1-morpholin-4-yl-1-oxopropan-2-yl) 1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxylate
CID 16519237
[(2R)-1-oxo-1-(propylamino)propan-2-yl] 3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxylate
CID 8985765

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxylate?
The IUPAC name of [(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxylate (CID 51917518) is [(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxylate.
What is the SMILES notation for [(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxylate?
The canonical SMILES for [(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxylate is COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)O[C@@H](C)C(=O)NCc2ccco2)c1.
What is the InChIKey of [(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxylate?
The InChIKey is ZTOUGLLKRWEXHB-KRWDZBQOSA-N. The full InChI is InChI=1S/C25H23N3O5/c1-17(24(29)26-15-21-12-7-13-32-21)33-25(30)22-16-28(19-9-4-3-5-10-19)27-23(22)18-8-6-11-20(14-18)31-2/h3-14,16-17H,15H2,1-2H3,(H,26,29)/t17-/m0/s1.
What are the key properties of [(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxylate?
[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxylate has a molecular weight of 445.48 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxylate is sourced from PubChem (CID 51917518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).