[2-[[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl] 3-(thiophene-3-carbonylamino)propanoate

C26H24N4O4S — CID 30404395

IUPAC[2-[[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl] 3-(thiophene-3-carbonylamino)propanoate
SMILESCc1ccc(-c2cc(NC(=O)COC(=O)CCNC(=O)c3ccsc3)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C26H24N4O4S/c1-18-7-9-19(10-8-18)22-15-23(30(29-22)21-5-3-2-4-6-21)28-24(31)16-34-25(32)11-13-27-26(33)20-12-14-35-17-20/h2-10,12,14-15,17H,11,13,16H2,1H3,(H,27,33)(H,28,31)
InChIKeyJUWIZUGVLOHCLJ-UHFFFAOYSA-N
MW488.57 g/mol
LogP4.21
Rot. Bonds9

About [2-[[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl] 3-(thiophene-3-carbonylamino)propanoate

[2-[[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl] 3-(thiophene-3-carbonylamino)propanoate (PubChem CID 30404395) has the molecular formula C26H24N4O4S and a molecular weight of 488.57 g/mol. Its IUPAC name is [2-[[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl] 3-(thiophene-3-carbonylamino)propanoate.

Molecular Properties

Compound Name[2-[[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl] 3-(thiophene-3-carbonylamino)propanoate
PubChem CID30404395
Molecular FormulaC26H24N4O4S
Molecular Weight488.57 g/mol
Exact Mass488.15
IUPAC Name[2-[[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl] 3-(thiophene-3-carbonylamino)propanoate
SMILESCc1ccc(-c2cc(NC(=O)COC(=O)CCNC(=O)c3ccsc3)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C26H24N4O4S/c1-18-7-9-19(10-8-18)22-15-23(30(29-22)21-5-3-2-4-6-21)28-24(31)16-34-25(32)11-13-27-26(33)20-12-14-35-17-20/h2-10,12,14-15,17H,11,13,16H2,1H3,(H,27,33)(H,28,31)
InChIKeyJUWIZUGVLOHCLJ-UHFFFAOYSA-N
XLogP4.21
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.57
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[2-[[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl] 3-methylbut-2-enoate
CID 8893423
[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 4781966
[2-[[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl] pyrazine-2-carboxylate
CID 7985543
[2-[[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl] 6-chloropyridine-3-carboxylate
CID 16522577
[2-oxo-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl] 3-(thiophene-3-carbonylamino)propanoate
CID 46609485
[2-[[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl] 2-(2-amino-2-oxoethoxy)benzoate
CID 46641122
[2-oxo-2-[[1-phenyl-3-(2,4,5-trimethylphenyl)pyrazol-5-yl]amino]ethyl] butanoate
CID 7890368
2-O-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56505614
[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-benzamidoacetate
CID 7042872
4-fluoro-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]benzamide
CID 46087927
N'-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]-N-pentylpentanediamide
CID 4543622
[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl] 2-(benzotriazol-1-yl)acetate
CID 55374030

Frequently Asked Questions

What is the IUPAC name of [2-[[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl] 3-(thiophene-3-carbonylamino)propanoate?
The IUPAC name of [2-[[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl] 3-(thiophene-3-carbonylamino)propanoate (CID 30404395) is [2-[[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl] 3-(thiophene-3-carbonylamino)propanoate.
What is the SMILES notation for [2-[[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl] 3-(thiophene-3-carbonylamino)propanoate?
The canonical SMILES for [2-[[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl] 3-(thiophene-3-carbonylamino)propanoate is Cc1ccc(-c2cc(NC(=O)COC(=O)CCNC(=O)c3ccsc3)n(-c3ccccc3)n2)cc1.
What is the InChIKey of [2-[[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl] 3-(thiophene-3-carbonylamino)propanoate?
The InChIKey is JUWIZUGVLOHCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O4S/c1-18-7-9-19(10-8-18)22-15-23(30(29-22)21-5-3-2-4-6-21)28-24(31)16-34-25(32)11-13-27-26(33)20-12-14-35-17-20/h2-10,12,14-15,17H,11,13,16H2,1H3,(H,27,33)(H,28,31).
What are the key properties of [2-[[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl] 3-(thiophene-3-carbonylamino)propanoate?
[2-[[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl] 3-(thiophene-3-carbonylamino)propanoate has a molecular weight of 488.57 g/mol, XLogP of 4.21, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl] 3-(thiophene-3-carbonylamino)propanoate is sourced from PubChem (CID 30404395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).