ethyl 4-[[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-(2-methylpropyl)amino]-4-oxobutanoate

C27H32N4O4 — CID 42732122

IUPACethyl 4-[[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-(2-methylpropyl)amino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)N(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1)CC(C)C
InChIInChI=1S/C27H32N4O4/c1-4-35-27(34)16-15-26(33)30(18-20(2)3)19-25(32)28-24-17-23(21-11-7-5-8-12-21)29-31(24)22-13-9-6-10-14-22/h5-14,17,20H,4,15-16,18-19H2,1-3H3,(H,28,32)
InChIKeyVXFLODIFXNNELS-UHFFFAOYSA-N
MW476.58 g/mol
LogP4.31
Rot. Bonds11

About ethyl 4-[[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-(2-methylpropyl)amino]-4-oxobutanoate

ethyl 4-[[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-(2-methylpropyl)amino]-4-oxobutanoate (PubChem CID 42732122) has the molecular formula C27H32N4O4 and a molecular weight of 476.58 g/mol. Its IUPAC name is ethyl 4-[[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-(2-methylpropyl)amino]-4-oxobutanoate.

Molecular Properties

Compound Nameethyl 4-[[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-(2-methylpropyl)amino]-4-oxobutanoate
PubChem CID42732122
Molecular FormulaC27H32N4O4
Molecular Weight476.58 g/mol
Exact Mass476.24
IUPAC Nameethyl 4-[[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-(2-methylpropyl)amino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)N(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1)CC(C)C
InChIInChI=1S/C27H32N4O4/c1-4-35-27(34)16-15-26(33)30(18-20(2)3)19-25(32)28-24-17-23(21-11-7-5-8-12-21)29-31(24)22-13-9-6-10-14-22/h5-14,17,20H,4,15-16,18-19H2,1-3H3,(H,28,32)
InChIKeyVXFLODIFXNNELS-UHFFFAOYSA-N
XLogP4.31
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-(2-methylpropyl)amino]-4-oxobutanoate with MolForge

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Related Compounds

ethyl 4-[butyl-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]amino]-4-oxobutanoate
CID 42732109
ethyl 2-[[[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-(2-methylpropyl)carbamoyl]amino]acetate
CID 42732608
N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)-4-phenylbenzamide
CID 42732118
2-[[2-(4-chlorophenoxy)acetyl]-(2-methylpropyl)amino]-N-(1,3-diphenylpyrazol-5-yl)acetamide
CID 3986712
2-[butylcarbamoyl(2-methylpropyl)amino]-N-(1,3-diphenylpyrazol-5-yl)acetamide
CID 5033485
N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-ethyl-2-methylpropanamide
CID 1062156
N-(1,3-diphenylpyrazol-5-yl)-4-methylpentanamide
CID 46087809
N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)cyclobutanecarboxamide
CID 42732235
N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)-2-thiophen-2-ylacetamide
CID 42741294
N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)cyclopropanecarboxamide
CID 4011810
2-ethyl-N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)hexanamide
CID 5107350
N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)cyclohexanecarboxamide
CID 1060914

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-(2-methylpropyl)amino]-4-oxobutanoate?
The IUPAC name of ethyl 4-[[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-(2-methylpropyl)amino]-4-oxobutanoate (CID 42732122) is ethyl 4-[[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-(2-methylpropyl)amino]-4-oxobutanoate.
What is the SMILES notation for ethyl 4-[[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-(2-methylpropyl)amino]-4-oxobutanoate?
The canonical SMILES for ethyl 4-[[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-(2-methylpropyl)amino]-4-oxobutanoate is CCOC(=O)CCC(=O)N(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1)CC(C)C.
What is the InChIKey of ethyl 4-[[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-(2-methylpropyl)amino]-4-oxobutanoate?
The InChIKey is VXFLODIFXNNELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O4/c1-4-35-27(34)16-15-26(33)30(18-20(2)3)19-25(32)28-24-17-23(21-11-7-5-8-12-21)29-31(24)22-13-9-6-10-14-22/h5-14,17,20H,4,15-16,18-19H2,1-3H3,(H,28,32).
What are the key properties of ethyl 4-[[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-(2-methylpropyl)amino]-4-oxobutanoate?
ethyl 4-[[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-(2-methylpropyl)amino]-4-oxobutanoate has a molecular weight of 476.58 g/mol, XLogP of 4.31, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-(2-methylpropyl)amino]-4-oxobutanoate is sourced from PubChem (CID 42732122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).