(Z)-4-(4-chlorophenyl)-2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-4-oxo-N-phenylbut-2-enamide

C27H23ClN4O3 — CID 24835848

IUPAC(Z)-4-(4-chlorophenyl)-2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-4-oxo-N-phenylbut-2-enamide
SMILESCc1c(N/C(=C\C(=O)c2ccc(Cl)cc2)C(=O)Nc2ccccc2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C27H23ClN4O3/c1-18-25(27(35)32(31(18)2)22-11-7-4-8-12-22)30-23(26(34)29-21-9-5-3-6-10-21)17-24(33)19-13-15-20(28)16-14-19/h3-17,30H,1-2H3,(H,29,34)/b23-17-
InChIKeyMMZHOACZRDXDBN-QJOMJCCJSA-N
MW486.96 g/mol
LogP4.96
Rot. Bonds7

About (Z)-4-(4-chlorophenyl)-2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-4-oxo-N-phenylbut-2-enamide

(Z)-4-(4-chlorophenyl)-2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-4-oxo-N-phenylbut-2-enamide (PubChem CID 24835848) has the molecular formula C27H23ClN4O3 and a molecular weight of 486.96 g/mol. Its IUPAC name is (Z)-4-(4-chlorophenyl)-2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-4-oxo-N-phenylbut-2-enamide.

Molecular Properties

Compound Name(Z)-4-(4-chlorophenyl)-2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-4-oxo-N-phenylbut-2-enamide
PubChem CID24835848
Molecular FormulaC27H23ClN4O3
Molecular Weight486.96 g/mol
Exact Mass486.15
IUPAC Name(Z)-4-(4-chlorophenyl)-2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-4-oxo-N-phenylbut-2-enamide
SMILESCc1c(N/C(=C\C(=O)c2ccc(Cl)cc2)C(=O)Nc2ccccc2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C27H23ClN4O3/c1-18-25(27(35)32(31(18)2)22-11-7-4-8-12-22)30-23(26(34)29-21-9-5-3-6-10-21)17-24(33)19-13-15-20(28)16-14-19/h3-17,30H,1-2H3,(H,29,34)/b23-17-
InChIKeyMMZHOACZRDXDBN-QJOMJCCJSA-N
XLogP4.96
TPSA85.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.96
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-4-(4-chlorophenyl)-2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-4-oxo-N-phenylbut-2-enamide 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

(Z)-4-(4-chlorophenyl)-2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-4-oxobut-2-enoate
CID 7434966
4-[[3-(4-chlorophenyl)-3-oxoprop-1-enyl]amino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 1369600
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
CID 21924
3-(4-chlorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide
CID 16574621
2,4-dichloro-N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 74638609
3-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
CID 789711
4-(4-chlorobenzoyl)-1,5-dimethyl-2-phenylpyrazol-3-one
CID 12933291
2-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]sulfanyl-N-phenylacetamide
CID 1412018
4-(2,4-dichlorophenoxy)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)butanamide
CID 2257918
4-(4-bromophenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-hydroxy-2-oxobut-3-enamide
CID 4274189
2-[(4-chlorophenyl)methylsulfanyl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
CID 1138769
2,2,2-trichloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
CID 818335

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(4-chlorophenyl)-2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-4-oxo-N-phenylbut-2-enamide?
The IUPAC name of (Z)-4-(4-chlorophenyl)-2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-4-oxo-N-phenylbut-2-enamide (CID 24835848) is (Z)-4-(4-chlorophenyl)-2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-4-oxo-N-phenylbut-2-enamide.
What is the SMILES notation for (Z)-4-(4-chlorophenyl)-2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-4-oxo-N-phenylbut-2-enamide?
The canonical SMILES for (Z)-4-(4-chlorophenyl)-2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-4-oxo-N-phenylbut-2-enamide is Cc1c(N/C(=C\C(=O)c2ccc(Cl)cc2)C(=O)Nc2ccccc2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of (Z)-4-(4-chlorophenyl)-2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-4-oxo-N-phenylbut-2-enamide?
The InChIKey is MMZHOACZRDXDBN-QJOMJCCJSA-N. The full InChI is InChI=1S/C27H23ClN4O3/c1-18-25(27(35)32(31(18)2)22-11-7-4-8-12-22)30-23(26(34)29-21-9-5-3-6-10-21)17-24(33)19-13-15-20(28)16-14-19/h3-17,30H,1-2H3,(H,29,34)/b23-17-.
What are the key properties of (Z)-4-(4-chlorophenyl)-2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-4-oxo-N-phenylbut-2-enamide?
(Z)-4-(4-chlorophenyl)-2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-4-oxo-N-phenylbut-2-enamide has a molecular weight of 486.96 g/mol, XLogP of 4.96, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(4-chlorophenyl)-2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-4-oxo-N-phenylbut-2-enamide is sourced from PubChem (CID 24835848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).