lithium;1-[1,5-bis(3-chlorophenyl)pyrazole-3-carbonyl]imidazolidin-4-one;1,5-bis(3-chlorophenyl)pyrazole-3-carboxylic acid;1-(3-chlorophenyl)ethanone;(Z)-1-(3-chlorophenyl)-3-ethoxy-3-oxoprop-1-en-1-olate;(3-chlorophenyl)methanamine;diethyl oxalate;ethyl 1,5-bis(3-chlorophenyl)pyrazole-3-carboxylate;imidazolidin-4-one;methane

C89H83Cl9LiN11O15 — CID 161322907

IUPAClithium;1-[1,5-bis(3-chlorophenyl)pyrazole-3-carbonyl]imidazolidin-4-one;1,5-bis(3-chlorophenyl)pyrazole-3-carboxylic acid;1-(3-chlorophenyl)ethanone;(Z)-1-(3-chlorophenyl)-3-ethoxy-3-oxoprop-1-en-1-olate;(3-chlorophenyl)methanamine;diethyl oxalate;ethyl 1,5-bis(3-chlorophenyl)pyrazole-3-carboxylate;imidazolidin-4-one;methane
SMILESC.CC(=O)c1cccc(Cl)c1.CCOC(=O)/C=C(\[O-])c1cccc(Cl)c1.CCOC(=O)C(=O)OCC.CCOC(=O)c1cc(-c2cccc(Cl)c2)n(-c2cccc(Cl)c2)n1.NCc1cccc(Cl)c1.O=C(O)c1cc(-c2cccc(Cl)c2)n(-c2cccc(Cl)c2)n1.O=C1CN(C(=O)c2cc(-c3cccc(Cl)c3)n(-c3cccc(Cl)c3)n2)CN1.O=C1CNCN1.[Li+]
InChIInChI=1S/C19H14Cl2N4O2.C18H14Cl2N2O2.C16H10Cl2N2O2.C11H11ClO3.C8H7ClO.C7H8ClN.C6H10O4.C3H6N2O.CH4.Li/c20-13-4-1-3-12(7-13)17-9-16(19(27)24-10-18(26)22-11-24)23-25(17)15-6-2-5-14(21)8-15;1-2-24-18(23)16-11-17(12-5-3-6-13(19)9-12)22(21-16)15-8-4-7-14(20)10-15;17-11-4-1-3-10(7-11)15-9-14(16(21)22)19-20(15)13-6-2-5-12(18)8-13;1-2-15-11(14)7-10(13)8-4-3-5-9(12)6-8;1-6(10)7-3-2-4-8(9)5-7;8-7-3-1-2-6(4-7)5-9;1-3-9-5(7)6(8)10-4-2;6-3-1-4-2-5-3;;/h1-9H,10-11H2,(H,22,26);3-11H,2H2,1H3;1-9H,(H,21,22);3-7,13H,2H2,1H3;2-5H,1H3;1-4H,5,9H2;3-4H2,1-2H3;4H,1-2H2,(H,5,6);1H4;/q;;;;;;;;;+1/p-1/b;;;10-7-;;;;;;
InChIKeyVKJOCRRDKONMTM-LZHPCZIISA-M
MW1872.72 g/mol
LogP15.30
Rot. Bonds17

About lithium;1-[1,5-bis(3-chlorophenyl)pyrazole-3-carbonyl]imidazolidin-4-one;1,5-bis(3-chlorophenyl)pyrazole-3-carboxylic acid;1-(3-chlorophenyl)ethanone;(Z)-1-(3-chlorophenyl)-3-ethoxy-3-oxoprop-1-en-1-olate;(3-chlorophenyl)methanamine;diethyl oxalate;ethyl 1,5-bis(3-chlorophenyl)pyrazole-3-carboxylate;imidazolidin-4-one;methane

lithium;1-[1,5-bis(3-chlorophenyl)pyrazole-3-carbonyl]imidazolidin-4-one;1,5-bis(3-chlorophenyl)pyrazole-3-carboxylic acid;1-(3-chlorophenyl)ethanone;(Z)-1-(3-chlorophenyl)-3-ethoxy-3-oxoprop-1-en-1-olate;(3-chlorophenyl)methanamine;diethyl oxalate;ethyl 1,5-bis(3-chlorophenyl)pyrazole-3-carboxylate;imidazolidin-4-one;methane (PubChem CID 161322907) has the molecular formula C89H83Cl9LiN11O15 and a molecular weight of 1872.72 g/mol. Its IUPAC name is lithium;1-[1,5-bis(3-chlorophenyl)pyrazole-3-carbonyl]imidazolidin-4-one;1,5-bis(3-chlorophenyl)pyrazole-3-carboxylic acid;1-(3-chlorophenyl)ethanone;(Z)-1-(3-chlorophenyl)-3-ethoxy-3-oxoprop-1-en-1-olate;(3-chlorophenyl)methanamine;diethyl oxalate;ethyl 1,5-bis(3-chlorophenyl)pyrazole-3-carboxylate;imidazolidin-4-one;methane.

Molecular Properties

Compound Namelithium;1-[1,5-bis(3-chlorophenyl)pyrazole-3-carbonyl]imidazolidin-4-one;1,5-bis(3-chlorophenyl)pyrazole-3-carboxylic acid;1-(3-chlorophenyl)ethanone;(Z)-1-(3-chlorophenyl)-3-ethoxy-3-oxoprop-1-en-1-olate;(3-chlorophenyl)methanamine;diethyl oxalate;ethyl 1,5-bis(3-chlorophenyl)pyrazole-3-carboxylate;imidazolidin-4-one;methane
PubChem CID161322907
Molecular FormulaC89H83Cl9LiN11O15
Molecular Weight1872.72 g/mol
Exact Mass1867.34
IUPAC Namelithium;1-[1,5-bis(3-chlorophenyl)pyrazole-3-carbonyl]imidazolidin-4-one;1,5-bis(3-chlorophenyl)pyrazole-3-carboxylic acid;1-(3-chlorophenyl)ethanone;(Z)-1-(3-chlorophenyl)-3-ethoxy-3-oxoprop-1-en-1-olate;(3-chlorophenyl)methanamine;diethyl oxalate;ethyl 1,5-bis(3-chlorophenyl)pyrazole-3-carboxylate;imidazolidin-4-one;methane
SMILESC.CC(=O)c1cccc(Cl)c1.CCOC(=O)/C=C(\[O-])c1cccc(Cl)c1.CCOC(=O)C(=O)OCC.CCOC(=O)c1cc(-c2cccc(Cl)c2)n(-c2cccc(Cl)c2)n1.NCc1cccc(Cl)c1.O=C(O)c1cc(-c2cccc(Cl)c2)n(-c2cccc(Cl)c2)n1.O=C1CN(C(=O)c2cc(-c3cccc(Cl)c3)n(-c3cccc(Cl)c3)n2)CN1.O=C1CNCN1.[Li+]
InChIInChI=1S/C19H14Cl2N4O2.C18H14Cl2N2O2.C16H10Cl2N2O2.C11H11ClO3.C8H7ClO.C7H8ClN.C6H10O4.C3H6N2O.CH4.Li/c20-13-4-1-3-12(7-13)17-9-16(19(27)24-10-18(26)22-11-24)23-25(17)15-6-2-5-14(21)8-15;1-2-24-18(23)16-11-17(12-5-3-6-13(19)9-12)22(21-16)15-8-4-7-14(20)10-15;17-11-4-1-3-10(7-11)15-9-14(16(21)22)19-20(15)13-6-2-5-12(18)8-13;1-2-15-11(14)7-10(13)8-4-3-5-9(12)6-8;1-6(10)7-3-2-4-8(9)5-7;8-7-3-1-2-6(4-7)5-9;1-3-9-5(7)6(8)10-4-2;6-3-1-4-2-5-3;;/h1-9H,10-11H2,(H,22,26);3-11H,2H2,1H3;1-9H,(H,21,22);3-7,13H,2H2,1H3;2-5H,1H3;1-4H,5,9H2;3-4H2,1-2H3;4H,1-2H2,(H,5,6);1H4;/q;;;;;;;;;+1/p-1/b;;;10-7-;;;;;;
InChIKeyVKJOCRRDKONMTM-LZHPCZIISA-M
XLogP15.30
TPSA352.65 Ų
H-Bond Donors5
H-Bond Acceptors22
Rotatable Bonds17
Heavy Atoms125
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001872.72
LogP ≤ 515.30
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze lithium;1-[1,5-bis(3-chlorophenyl)pyrazole-3-carbonyl]imidazolidin-4-one;1,5-bis(3-chlorophenyl)pyrazole-3-carboxylic acid;1-(3-chlorophenyl)ethanone;(Z)-1-(3-chlorophenyl)-3-ethoxy-3-oxoprop-1-en-1-olate;(3-chlorophenyl)methanamine;diethyl oxalate;ethyl 1,5-bis(3-chlorophenyl)pyrazole-3-carboxylate;imidazolidin-4-one;methane with MolForge

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Related Compounds

1-[1-(3-chlorophenyl)-5-[3-[3-(dimethylamino)propoxy]phenyl]pyrazole-3-carbonyl]imidazolidin-4-one;formic acid
CID 67153505
1-[1-(3-chlorophenyl)-5-[3-(3-morpholin-4-ylpropoxy)phenyl]pyrazole-3-carbonyl]imidazolidin-4-one
CID 58277357
ethyl 1-(3-chlorophenyl)-5-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxylate
CID 58345406
1-(3-chlorophenyl)-5-[3-(methyliminomethyl)phenyl]pyrazole-3-carboxylic acid
CID 143863937
ethyl 4-[1-(3-chlorophenyl)-5-methylpyrazole-3-carbonyl]piperazine-1-carboxylate
CID 110373026
3-(3-ethoxycarbonyl-5-methylpyrazol-1-yl)benzoic acid
CID 135330912
ethyl 5-(3-benzamidophenyl)-1-(3-fluorophenyl)pyrazole-3-carboxylate
CID 46093999
1-[1-(3-chlorophenyl)-5-(3-phenylmethoxyphenyl)pyrazole-3-carbonyl]imidazolidine-4-carbaldehyde
CID 174610665
ethyl 1-(4-fluorophenyl)-5-phenylpyrazole-3-carboxylate
CID 11370315
4-[5-(3-chlorophenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide
CID 155546386
1-(3-chlorophenyl)-5-pyridin-2-ylpyrazole-3-carboxylic acid
CID 62815168
1-(3-chlorophenyl)-5-(3,4-difluorophenyl)pyrazole-3-carboxylic acid
CID 58277418

Frequently Asked Questions

What is the IUPAC name of lithium;1-[1,5-bis(3-chlorophenyl)pyrazole-3-carbonyl]imidazolidin-4-one;1,5-bis(3-chlorophenyl)pyrazole-3-carboxylic acid;1-(3-chlorophenyl)ethanone;(Z)-1-(3-chlorophenyl)-3-ethoxy-3-oxoprop-1-en-1-olate;(3-chlorophenyl)methanamine;diethyl oxalate;ethyl 1,5-bis(3-chlorophenyl)pyrazole-3-carboxylate;imidazolidin-4-one;methane?
The IUPAC name of lithium;1-[1,5-bis(3-chlorophenyl)pyrazole-3-carbonyl]imidazolidin-4-one;1,5-bis(3-chlorophenyl)pyrazole-3-carboxylic acid;1-(3-chlorophenyl)ethanone;(Z)-1-(3-chlorophenyl)-3-ethoxy-3-oxoprop-1-en-1-olate;(3-chlorophenyl)methanamine;diethyl oxalate;ethyl 1,5-bis(3-chlorophenyl)pyrazole-3-carboxylate;imidazolidin-4-one;methane (CID 161322907) is lithium;1-[1,5-bis(3-chlorophenyl)pyrazole-3-carbonyl]imidazolidin-4-one;1,5-bis(3-chlorophenyl)pyrazole-3-carboxylic acid;1-(3-chlorophenyl)ethanone;(Z)-1-(3-chlorophenyl)-3-ethoxy-3-oxoprop-1-en-1-olate;(3-chlorophenyl)methanamine;diethyl oxalate;ethyl 1,5-bis(3-chlorophenyl)pyrazole-3-carboxylate;imidazolidin-4-one;methane.
What is the SMILES notation for lithium;1-[1,5-bis(3-chlorophenyl)pyrazole-3-carbonyl]imidazolidin-4-one;1,5-bis(3-chlorophenyl)pyrazole-3-carboxylic acid;1-(3-chlorophenyl)ethanone;(Z)-1-(3-chlorophenyl)-3-ethoxy-3-oxoprop-1-en-1-olate;(3-chlorophenyl)methanamine;diethyl oxalate;ethyl 1,5-bis(3-chlorophenyl)pyrazole-3-carboxylate;imidazolidin-4-one;methane?
The canonical SMILES for lithium;1-[1,5-bis(3-chlorophenyl)pyrazole-3-carbonyl]imidazolidin-4-one;1,5-bis(3-chlorophenyl)pyrazole-3-carboxylic acid;1-(3-chlorophenyl)ethanone;(Z)-1-(3-chlorophenyl)-3-ethoxy-3-oxoprop-1-en-1-olate;(3-chlorophenyl)methanamine;diethyl oxalate;ethyl 1,5-bis(3-chlorophenyl)pyrazole-3-carboxylate;imidazolidin-4-one;methane is C.CC(=O)c1cccc(Cl)c1.CCOC(=O)/C=C(\[O-])c1cccc(Cl)c1.CCOC(=O)C(=O)OCC.CCOC(=O)c1cc(-c2cccc(Cl)c2)n(-c2cccc(Cl)c2)n1.NCc1cccc(Cl)c1.O=C(O)c1cc(-c2cccc(Cl)c2)n(-c2cccc(Cl)c2)n1.O=C1CN(C(=O)c2cc(-c3cccc(Cl)c3)n(-c3cccc(Cl)c3)n2)CN1.O=C1CNCN1.[Li+].
What is the InChIKey of lithium;1-[1,5-bis(3-chlorophenyl)pyrazole-3-carbonyl]imidazolidin-4-one;1,5-bis(3-chlorophenyl)pyrazole-3-carboxylic acid;1-(3-chlorophenyl)ethanone;(Z)-1-(3-chlorophenyl)-3-ethoxy-3-oxoprop-1-en-1-olate;(3-chlorophenyl)methanamine;diethyl oxalate;ethyl 1,5-bis(3-chlorophenyl)pyrazole-3-carboxylate;imidazolidin-4-one;methane?
The InChIKey is VKJOCRRDKONMTM-LZHPCZIISA-M. The full InChI is InChI=1S/C19H14Cl2N4O2.C18H14Cl2N2O2.C16H10Cl2N2O2.C11H11ClO3.C8H7ClO.C7H8ClN.C6H10O4.C3H6N2O.CH4.Li/c20-13-4-1-3-12(7-13)17-9-16(19(27)24-10-18(26)22-11-24)23-25(17)15-6-2-5-14(21)8-15;1-2-24-18(23)16-11-17(12-5-3-6-13(19)9-12)22(21-16)15-8-4-7-14(20)10-15;17-11-4-1-3-10(7-11)15-9-14(16(21)22)19-20(15)13-6-2-5-12(18)8-13;1-2-15-11(14)7-10(13)8-4-3-5-9(12)6-8;1-6(10)7-3-2-4-8(9)5-7;8-7-3-1-2-6(4-7)5-9;1-3-9-5(7)6(8)10-4-2;6-3-1-4-2-5-3;;/h1-9H,10-11H2,(H,22,26);3-11H,2H2,1H3;1-9H,(H,21,22);3-7,13H,2H2,1H3;2-5H,1H3;1-4H,5,9H2;3-4H2,1-2H3;4H,1-2H2,(H,5,6);1H4;/q;;;;;;;;;+1/p-1/b;;;10-7-;;;;;;.
What are the key properties of lithium;1-[1,5-bis(3-chlorophenyl)pyrazole-3-carbonyl]imidazolidin-4-one;1,5-bis(3-chlorophenyl)pyrazole-3-carboxylic acid;1-(3-chlorophenyl)ethanone;(Z)-1-(3-chlorophenyl)-3-ethoxy-3-oxoprop-1-en-1-olate;(3-chlorophenyl)methanamine;diethyl oxalate;ethyl 1,5-bis(3-chlorophenyl)pyrazole-3-carboxylate;imidazolidin-4-one;methane?
lithium;1-[1,5-bis(3-chlorophenyl)pyrazole-3-carbonyl]imidazolidin-4-one;1,5-bis(3-chlorophenyl)pyrazole-3-carboxylic acid;1-(3-chlorophenyl)ethanone;(Z)-1-(3-chlorophenyl)-3-ethoxy-3-oxoprop-1-en-1-olate;(3-chlorophenyl)methanamine;diethyl oxalate;ethyl 1,5-bis(3-chlorophenyl)pyrazole-3-carboxylate;imidazolidin-4-one;methane has a molecular weight of 1872.72 g/mol, XLogP of 15.30, 17 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;1-[1,5-bis(3-chlorophenyl)pyrazole-3-carbonyl]imidazolidin-4-one;1,5-bis(3-chlorophenyl)pyrazole-3-carboxylic acid;1-(3-chlorophenyl)ethanone;(Z)-1-(3-chlorophenyl)-3-ethoxy-3-oxoprop-1-en-1-olate;(3-chlorophenyl)methanamine;diethyl oxalate;ethyl 1,5-bis(3-chlorophenyl)pyrazole-3-carboxylate;imidazolidin-4-one;methane is sourced from PubChem (CID 161322907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).