(4Z)-5-amino-4-[[4-(diethylamino)phenyl]methylidene]-2-phenylpyrazol-3-one;(4Z)-4-[[4-(diethylamino)-2-methylphenyl]methylidene]-5-ethoxy-2-phenylpyrazol-3-one;(4Z)-4-[[4-(diethylamino)phenyl]methylidene]-5-(dimethylamino)-2-phenylpyrazol-3-one;(4Z)-4-[[4-(diethylamino)phenyl]methylidene]-5-ethoxy-2-phenylpyrazol-3-one;N-[(4Z)-4-[[4-(diethylamino)phenyl]methylidene]-5-oxo-1-phenylpyrazol-3-yl]-2,2-dimethylpropanamide

C112H130N18O8 — CID 160891131

IUPAC(4Z)-5-amino-4-[[4-(diethylamino)phenyl]methylidene]-2-phenylpyrazol-3-one;(4Z)-4-[[4-(diethylamino)-2-methylphenyl]methylidene]-5-ethoxy-2-phenylpyrazol-3-one;(4Z)-4-[[4-(diethylamino)phenyl]methylidene]-5-(dimethylamino)-2-phenylpyrazol-3-one;(4Z)-4-[[4-(diethylamino)phenyl]methylidene]-5-ethoxy-2-phenylpyrazol-3-one;N-[(4Z)-4-[[4-(diethylamino)phenyl]methylidene]-5-oxo-1-phenylpyrazol-3-yl]-2,2-dimethylpropanamide
SMILESCCN(CC)c1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2N(C)C)cc1.CCN(CC)c1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2N)cc1.CCN(CC)c1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2NC(=O)C(C)(C)C)cc1.CCOC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(N(CC)CC)cc1.CCOC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(N(CC)CC)cc1C
InChIInChI=1S/C25H30N4O2.C23H27N3O2.C22H26N4O.C22H25N3O2.C20H22N4O/c1-6-28(7-2)19-15-13-18(14-16-19)17-21-22(26-24(31)25(3,4)5)27-29(23(21)30)20-11-9-8-10-12-20;1-5-25(6-2)20-14-13-18(17(4)15-20)16-21-22(28-7-3)24-26(23(21)27)19-11-9-8-10-12-19;1-5-25(6-2)18-14-12-17(13-15-18)16-20-21(24(3)4)23-26(22(20)27)19-10-8-7-9-11-19;1-4-24(5-2)18-14-12-17(13-15-18)16-20-21(27-6-3)23-25(22(20)26)19-10-8-7-9-11-19;1-3-23(4-2)16-12-10-15(11-13-16)14-18-19(21)22-24(20(18)25)17-8-6-5-7-9-17/h8-17H,6-7H2,1-5H3,(H,26,27,31);8-16H,5-7H2,1-4H3;7-16H,5-6H2,1-4H3;7-16H,4-6H2,1-3H3;5-14H,3-4H2,1-2H3,(H2,21,22)/b21-17-;21-16-;2*20-16-;18-14-
InChIKeySOHALSYTVLEWDN-AYSPBPAVSA-N
MW1856.39 g/mol
LogP20.45
Rot. Bonds27

About (4Z)-5-amino-4-[[4-(diethylamino)phenyl]methylidene]-2-phenylpyrazol-3-one;(4Z)-4-[[4-(diethylamino)-2-methylphenyl]methylidene]-5-ethoxy-2-phenylpyrazol-3-one;(4Z)-4-[[4-(diethylamino)phenyl]methylidene]-5-(dimethylamino)-2-phenylpyrazol-3-one;(4Z)-4-[[4-(diethylamino)phenyl]methylidene]-5-ethoxy-2-phenylpyrazol-3-one;N-[(4Z)-4-[[4-(diethylamino)phenyl]methylidene]-5-oxo-1-phenylpyrazol-3-yl]-2,2-dimethylpropanamide

(4Z)-5-amino-4-[[4-(diethylamino)phenyl]methylidene]-2-phenylpyrazol-3-one;(4Z)-4-[[4-(diethylamino)-2-methylphenyl]methylidene]-5-ethoxy-2-phenylpyrazol-3-one;(4Z)-4-[[4-(diethylamino)phenyl]methylidene]-5-(dimethylamino)-2-phenylpyrazol-3-one;(4Z)-4-[[4-(diethylamino)phenyl]methylidene]-5-ethoxy-2-phenylpyrazol-3-one;N-[(4Z)-4-[[4-(diethylamino)phenyl]methylidene]-5-oxo-1-phenylpyrazol-3-yl]-2,2-dimethylpropanamide (PubChem CID 160891131) has the molecular formula C112H130N18O8 and a molecular weight of 1856.39 g/mol. Its IUPAC name is (4Z)-5-amino-4-[[4-(diethylamino)phenyl]methylidene]-2-phenylpyrazol-3-one;(4Z)-4-[[4-(diethylamino)-2-methylphenyl]methylidene]-5-ethoxy-2-phenylpyrazol-3-one;(4Z)-4-[[4-(diethylamino)phenyl]methylidene]-5-(dimethylamino)-2-phenylpyrazol-3-one;(4Z)-4-[[4-(diethylamino)phenyl]methylidene]-5-ethoxy-2-phenylpyrazol-3-one;N-[(4Z)-4-[[4-(diethylamino)phenyl]methylidene]-5-oxo-1-phenylpyrazol-3-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name(4Z)-5-amino-4-[[4-(diethylamino)phenyl]methylidene]-2-phenylpyrazol-3-one;(4Z)-4-[[4-(diethylamino)-2-methylphenyl]methylidene]-5-ethoxy-2-phenylpyrazol-3-one;(4Z)-4-[[4-(diethylamino)phenyl]methylidene]-5-(dimethylamino)-2-phenylpyrazol-3-one;(4Z)-4-[[4-(diethylamino)phenyl]methylidene]-5-ethoxy-2-phenylpyrazol-3-one;N-[(4Z)-4-[[4-(diethylamino)phenyl]methylidene]-5-oxo-1-phenylpyrazol-3-yl]-2,2-dimethylpropanamide
PubChem CID160891131
Molecular FormulaC112H130N18O8
Molecular Weight1856.39 g/mol
Exact Mass1855.03
IUPAC Name(4Z)-5-amino-4-[[4-(diethylamino)phenyl]methylidene]-2-phenylpyrazol-3-one;(4Z)-4-[[4-(diethylamino)-2-methylphenyl]methylidene]-5-ethoxy-2-phenylpyrazol-3-one;(4Z)-4-[[4-(diethylamino)phenyl]methylidene]-5-(dimethylamino)-2-phenylpyrazol-3-one;(4Z)-4-[[4-(diethylamino)phenyl]methylidene]-5-ethoxy-2-phenylpyrazol-3-one;N-[(4Z)-4-[[4-(diethylamino)phenyl]methylidene]-5-oxo-1-phenylpyrazol-3-yl]-2,2-dimethylpropanamide
SMILESCCN(CC)c1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2N(C)C)cc1.CCN(CC)c1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2N)cc1.CCN(CC)c1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2NC(=O)C(C)(C)C)cc1.CCOC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(N(CC)CC)cc1.CCOC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(N(CC)CC)cc1C
InChIInChI=1S/C25H30N4O2.C23H27N3O2.C22H26N4O.C22H25N3O2.C20H22N4O/c1-6-28(7-2)19-15-13-18(14-16-19)17-21-22(26-24(31)25(3,4)5)27-29(23(21)30)20-11-9-8-10-12-20;1-5-25(6-2)20-14-13-18(17(4)15-20)16-21-22(28-7-3)24-26(23(21)27)19-11-9-8-10-12-19;1-5-25(6-2)18-14-12-17(13-15-18)16-20-21(24(3)4)23-26(22(20)27)19-10-8-7-9-11-19;1-4-24(5-2)18-14-12-17(13-15-18)16-20-21(27-6-3)23-25(22(20)26)19-10-8-7-9-11-19;1-3-23(4-2)16-12-10-15(11-13-16)14-18-19(21)22-24(20(18)25)17-8-6-5-7-9-17/h8-17H,6-7H2,1-5H3,(H,26,27,31);8-16H,5-7H2,1-4H3;7-16H,5-6H2,1-4H3;7-16H,4-6H2,1-3H3;5-14H,3-4H2,1-2H3,(H2,21,22)/b21-17-;21-16-;2*20-16-;18-14-
InChIKeySOHALSYTVLEWDN-AYSPBPAVSA-N
XLogP20.45
TPSA256.37 Ų
H-Bond Donors2
H-Bond Acceptors20
Rotatable Bonds27
Heavy Atoms138
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001856.39
LogP ≤ 520.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'ene_five_het_A(201)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (4Z)-5-amino-4-[[4-(diethylamino)phenyl]methylidene]-2-phenylpyrazol-3-one;(4Z)-4-[[4-(diethylamino)-2-methylphenyl]methylidene]-5-ethoxy-2-phenylpyrazol-3-one;(4Z)-4-[[4-(diethylamino)phenyl]methylidene]-5-(dimethylamino)-2-phenylpyrazol-3-one;(4Z)-4-[[4-(diethylamino)phenyl]methylidene]-5-ethoxy-2-phenylpyrazol-3-one;N-[(4Z)-4-[[4-(diethylamino)phenyl]methylidene]-5-oxo-1-phenylpyrazol-3-yl]-2,2-dimethylpropanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4Z)-5-amino-4-[[4-(diethylamino)phenyl]methylidene]-2-phenylpyrazol-3-one;(4Z)-4-[[4-(diethylamino)-2-methylphenyl]methylidene]-5-ethoxy-2-phenylpyrazol-3-one;(4Z)-4-[[4-(diethylamino)phenyl]methylidene]-5-(dimethylamino)-2-phenylpyrazol-3-one;(4Z)-4-[[4-(diethylamino)phenyl]methylidene]-5-ethoxy-2-phenylpyrazol-3-one;N-[(4Z)-4-[[4-(diethylamino)phenyl]methylidene]-5-oxo-1-phenylpyrazol-3-yl]-2,2-dimethylpropanamide?
The IUPAC name of (4Z)-5-amino-4-[[4-(diethylamino)phenyl]methylidene]-2-phenylpyrazol-3-one;(4Z)-4-[[4-(diethylamino)-2-methylphenyl]methylidene]-5-ethoxy-2-phenylpyrazol-3-one;(4Z)-4-[[4-(diethylamino)phenyl]methylidene]-5-(dimethylamino)-2-phenylpyrazol-3-one;(4Z)-4-[[4-(diethylamino)phenyl]methylidene]-5-ethoxy-2-phenylpyrazol-3-one;N-[(4Z)-4-[[4-(diethylamino)phenyl]methylidene]-5-oxo-1-phenylpyrazol-3-yl]-2,2-dimethylpropanamide (CID 160891131) is (4Z)-5-amino-4-[[4-(diethylamino)phenyl]methylidene]-2-phenylpyrazol-3-one;(4Z)-4-[[4-(diethylamino)-2-methylphenyl]methylidene]-5-ethoxy-2-phenylpyrazol-3-one;(4Z)-4-[[4-(diethylamino)phenyl]methylidene]-5-(dimethylamino)-2-phenylpyrazol-3-one;(4Z)-4-[[4-(diethylamino)phenyl]methylidene]-5-ethoxy-2-phenylpyrazol-3-one;N-[(4Z)-4-[[4-(diethylamino)phenyl]methylidene]-5-oxo-1-phenylpyrazol-3-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for (4Z)-5-amino-4-[[4-(diethylamino)phenyl]methylidene]-2-phenylpyrazol-3-one;(4Z)-4-[[4-(diethylamino)-2-methylphenyl]methylidene]-5-ethoxy-2-phenylpyrazol-3-one;(4Z)-4-[[4-(diethylamino)phenyl]methylidene]-5-(dimethylamino)-2-phenylpyrazol-3-one;(4Z)-4-[[4-(diethylamino)phenyl]methylidene]-5-ethoxy-2-phenylpyrazol-3-one;N-[(4Z)-4-[[4-(diethylamino)phenyl]methylidene]-5-oxo-1-phenylpyrazol-3-yl]-2,2-dimethylpropanamide?
The canonical SMILES for (4Z)-5-amino-4-[[4-(diethylamino)phenyl]methylidene]-2-phenylpyrazol-3-one;(4Z)-4-[[4-(diethylamino)-2-methylphenyl]methylidene]-5-ethoxy-2-phenylpyrazol-3-one;(4Z)-4-[[4-(diethylamino)phenyl]methylidene]-5-(dimethylamino)-2-phenylpyrazol-3-one;(4Z)-4-[[4-(diethylamino)phenyl]methylidene]-5-ethoxy-2-phenylpyrazol-3-one;N-[(4Z)-4-[[4-(diethylamino)phenyl]methylidene]-5-oxo-1-phenylpyrazol-3-yl]-2,2-dimethylpropanamide is CCN(CC)c1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2N(C)C)cc1.CCN(CC)c1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2N)cc1.CCN(CC)c1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2NC(=O)C(C)(C)C)cc1.CCOC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(N(CC)CC)cc1.CCOC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(N(CC)CC)cc1C.
What is the InChIKey of (4Z)-5-amino-4-[[4-(diethylamino)phenyl]methylidene]-2-phenylpyrazol-3-one;(4Z)-4-[[4-(diethylamino)-2-methylphenyl]methylidene]-5-ethoxy-2-phenylpyrazol-3-one;(4Z)-4-[[4-(diethylamino)phenyl]methylidene]-5-(dimethylamino)-2-phenylpyrazol-3-one;(4Z)-4-[[4-(diethylamino)phenyl]methylidene]-5-ethoxy-2-phenylpyrazol-3-one;N-[(4Z)-4-[[4-(diethylamino)phenyl]methylidene]-5-oxo-1-phenylpyrazol-3-yl]-2,2-dimethylpropanamide?
The InChIKey is SOHALSYTVLEWDN-AYSPBPAVSA-N. The full InChI is InChI=1S/C25H30N4O2.C23H27N3O2.C22H26N4O.C22H25N3O2.C20H22N4O/c1-6-28(7-2)19-15-13-18(14-16-19)17-21-22(26-24(31)25(3,4)5)27-29(23(21)30)20-11-9-8-10-12-20;1-5-25(6-2)20-14-13-18(17(4)15-20)16-21-22(28-7-3)24-26(23(21)27)19-11-9-8-10-12-19;1-5-25(6-2)18-14-12-17(13-15-18)16-20-21(24(3)4)23-26(22(20)27)19-10-8-7-9-11-19;1-4-24(5-2)18-14-12-17(13-15-18)16-20-21(27-6-3)23-25(22(20)26)19-10-8-7-9-11-19;1-3-23(4-2)16-12-10-15(11-13-16)14-18-19(21)22-24(20(18)25)17-8-6-5-7-9-17/h8-17H,6-7H2,1-5H3,(H,26,27,31);8-16H,5-7H2,1-4H3;7-16H,5-6H2,1-4H3;7-16H,4-6H2,1-3H3;5-14H,3-4H2,1-2H3,(H2,21,22)/b21-17-;21-16-;2*20-16-;18-14-.
What are the key properties of (4Z)-5-amino-4-[[4-(diethylamino)phenyl]methylidene]-2-phenylpyrazol-3-one;(4Z)-4-[[4-(diethylamino)-2-methylphenyl]methylidene]-5-ethoxy-2-phenylpyrazol-3-one;(4Z)-4-[[4-(diethylamino)phenyl]methylidene]-5-(dimethylamino)-2-phenylpyrazol-3-one;(4Z)-4-[[4-(diethylamino)phenyl]methylidene]-5-ethoxy-2-phenylpyrazol-3-one;N-[(4Z)-4-[[4-(diethylamino)phenyl]methylidene]-5-oxo-1-phenylpyrazol-3-yl]-2,2-dimethylpropanamide?
(4Z)-5-amino-4-[[4-(diethylamino)phenyl]methylidene]-2-phenylpyrazol-3-one;(4Z)-4-[[4-(diethylamino)-2-methylphenyl]methylidene]-5-ethoxy-2-phenylpyrazol-3-one;(4Z)-4-[[4-(diethylamino)phenyl]methylidene]-5-(dimethylamino)-2-phenylpyrazol-3-one;(4Z)-4-[[4-(diethylamino)phenyl]methylidene]-5-ethoxy-2-phenylpyrazol-3-one;N-[(4Z)-4-[[4-(diethylamino)phenyl]methylidene]-5-oxo-1-phenylpyrazol-3-yl]-2,2-dimethylpropanamide has a molecular weight of 1856.39 g/mol, XLogP of 20.45, 27 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-5-amino-4-[[4-(diethylamino)phenyl]methylidene]-2-phenylpyrazol-3-one;(4Z)-4-[[4-(diethylamino)-2-methylphenyl]methylidene]-5-ethoxy-2-phenylpyrazol-3-one;(4Z)-4-[[4-(diethylamino)phenyl]methylidene]-5-(dimethylamino)-2-phenylpyrazol-3-one;(4Z)-4-[[4-(diethylamino)phenyl]methylidene]-5-ethoxy-2-phenylpyrazol-3-one;N-[(4Z)-4-[[4-(diethylamino)phenyl]methylidene]-5-oxo-1-phenylpyrazol-3-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 160891131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).