butan-2-yl [(E)-2-(4-tert-butylphenyl)-2-cyano-1-(2,5-dimethylpyrazol-3-yl)ethenoxy]methyl carbonate;butyl [(E)-2-(4-tert-butylphenyl)-2-cyano-1-(2,5-dimethylpyrazol-3-yl)ethenoxy]methyl carbonate;[(E)-2-(4-tert-butylphenyl)-2-cyano-1-(2,5-dimethylpyrazol-3-yl)ethenoxy]methyl 2-methylpropyl carbonate;[(E)-2-(4-tert-butylphenyl)-2-cyano-1-(2,5-dimethylpyrazol-3-yl)ethenoxy]methyl pentyl carbonate

C97H126N12O16 — CID 159473429

IUPACbutan-2-yl [(E)-2-(4-tert-butylphenyl)-2-cyano-1-(2,5-dimethylpyrazol-3-yl)ethenoxy]methyl carbonate;butyl [(E)-2-(4-tert-butylphenyl)-2-cyano-1-(2,5-dimethylpyrazol-3-yl)ethenoxy]methyl carbonate;[(E)-2-(4-tert-butylphenyl)-2-cyano-1-(2,5-dimethylpyrazol-3-yl)ethenoxy]methyl 2-methylpropyl carbonate;[(E)-2-(4-tert-butylphenyl)-2-cyano-1-(2,5-dimethylpyrazol-3-yl)ethenoxy]methyl pentyl carbonate
SMILESCCC(C)OC(=O)OCO/C(=C(/C#N)c1ccc(C(C)(C)C)cc1)c1cc(C)nn1C.CCCCCOC(=O)OCO/C(=C(/C#N)c1ccc(C(C)(C)C)cc1)c1cc(C)nn1C.CCCCOC(=O)OCO/C(=C(/C#N)c1ccc(C(C)(C)C)cc1)c1cc(C)nn1C.Cc1cc(/C(OCOC(=O)OCC(C)C)=C(\C#N)c2ccc(C(C)(C)C)cc2)n(C)n1
InChIInChI=1S/C25H33N3O4.3C24H31N3O4/c1-7-8-9-14-30-24(29)32-17-31-23(22-15-18(2)27-28(22)6)21(16-26)19-10-12-20(13-11-19)25(3,4)5;1-16(2)14-29-23(28)31-15-30-22(21-12-17(3)26-27(21)7)20(13-25)18-8-10-19(11-9-18)24(4,5)6;1-8-17(3)31-23(28)30-15-29-22(21-13-16(2)26-27(21)7)20(14-25)18-9-11-19(12-10-18)24(4,5)6;1-7-8-13-29-23(28)31-16-30-22(21-14-17(2)26-27(21)6)20(15-25)18-9-11-19(12-10-18)24(3,4)5/h10-13,15H,7-9,14,17H2,1-6H3;8-12,16H,14-15H2,1-7H3;9-13,17H,8,15H2,1-7H3;9-12,14H,7-8,13,16H2,1-6H3/b23-21-;3*22-20-
InChIKeyLWBSOHIICAFDAI-KESHDZQNSA-N
MW1716.14 g/mol
LogP21.63
Rot. Bonds31

About butan-2-yl [(E)-2-(4-tert-butylphenyl)-2-cyano-1-(2,5-dimethylpyrazol-3-yl)ethenoxy]methyl carbonate;butyl [(E)-2-(4-tert-butylphenyl)-2-cyano-1-(2,5-dimethylpyrazol-3-yl)ethenoxy]methyl carbonate;[(E)-2-(4-tert-butylphenyl)-2-cyano-1-(2,5-dimethylpyrazol-3-yl)ethenoxy]methyl 2-methylpropyl carbonate;[(E)-2-(4-tert-butylphenyl)-2-cyano-1-(2,5-dimethylpyrazol-3-yl)ethenoxy]methyl pentyl carbonate

butan-2-yl [(E)-2-(4-tert-butylphenyl)-2-cyano-1-(2,5-dimethylpyrazol-3-yl)ethenoxy]methyl carbonate;butyl [(E)-2-(4-tert-butylphenyl)-2-cyano-1-(2,5-dimethylpyrazol-3-yl)ethenoxy]methyl carbonate;[(E)-2-(4-tert-butylphenyl)-2-cyano-1-(2,5-dimethylpyrazol-3-yl)ethenoxy]methyl 2-methylpropyl carbonate;[(E)-2-(4-tert-butylphenyl)-2-cyano-1-(2,5-dimethylpyrazol-3-yl)ethenoxy]methyl pentyl carbonate (PubChem CID 159473429) has the molecular formula C97H126N12O16 and a molecular weight of 1716.14 g/mol. Its IUPAC name is butan-2-yl [(E)-2-(4-tert-butylphenyl)-2-cyano-1-(2,5-dimethylpyrazol-3-yl)ethenoxy]methyl carbonate;butyl [(E)-2-(4-tert-butylphenyl)-2-cyano-1-(2,5-dimethylpyrazol-3-yl)ethenoxy]methyl carbonate;[(E)-2-(4-tert-butylphenyl)-2-cyano-1-(2,5-dimethylpyrazol-3-yl)ethenoxy]methyl 2-methylpropyl carbonate;[(E)-2-(4-tert-butylphenyl)-2-cyano-1-(2,5-dimethylpyrazol-3-yl)ethenoxy]methyl pentyl carbonate.

Molecular Properties

Compound Namebutan-2-yl [(E)-2-(4-tert-butylphenyl)-2-cyano-1-(2,5-dimethylpyrazol-3-yl)ethenoxy]methyl carbonate;butyl [(E)-2-(4-tert-butylphenyl)-2-cyano-1-(2,5-dimethylpyrazol-3-yl)ethenoxy]methyl carbonate;[(E)-2-(4-tert-butylphenyl)-2-cyano-1-(2,5-dimethylpyrazol-3-yl)ethenoxy]methyl 2-methylpropyl carbonate;[(E)-2-(4-tert-butylphenyl)-2-cyano-1-(2,5-dimethylpyrazol-3-yl)ethenoxy]methyl pentyl carbonate
PubChem CID159473429
Molecular FormulaC97H126N12O16
Molecular Weight1716.14 g/mol
Exact Mass1714.94
IUPAC Namebutan-2-yl [(E)-2-(4-tert-butylphenyl)-2-cyano-1-(2,5-dimethylpyrazol-3-yl)ethenoxy]methyl carbonate;butyl [(E)-2-(4-tert-butylphenyl)-2-cyano-1-(2,5-dimethylpyrazol-3-yl)ethenoxy]methyl carbonate;[(E)-2-(4-tert-butylphenyl)-2-cyano-1-(2,5-dimethylpyrazol-3-yl)ethenoxy]methyl 2-methylpropyl carbonate;[(E)-2-(4-tert-butylphenyl)-2-cyano-1-(2,5-dimethylpyrazol-3-yl)ethenoxy]methyl pentyl carbonate
SMILESCCC(C)OC(=O)OCO/C(=C(/C#N)c1ccc(C(C)(C)C)cc1)c1cc(C)nn1C.CCCCCOC(=O)OCO/C(=C(/C#N)c1ccc(C(C)(C)C)cc1)c1cc(C)nn1C.CCCCOC(=O)OCO/C(=C(/C#N)c1ccc(C(C)(C)C)cc1)c1cc(C)nn1C.Cc1cc(/C(OCOC(=O)OCC(C)C)=C(\C#N)c2ccc(C(C)(C)C)cc2)n(C)n1
InChIInChI=1S/C25H33N3O4.3C24H31N3O4/c1-7-8-9-14-30-24(29)32-17-31-23(22-15-18(2)27-28(22)6)21(16-26)19-10-12-20(13-11-19)25(3,4)5;1-16(2)14-29-23(28)31-15-30-22(21-12-17(3)26-27(21)7)20(13-25)18-8-10-19(11-9-18)24(4,5)6;1-8-17(3)31-23(28)30-15-29-22(21-13-16(2)26-27(21)7)20(14-25)18-9-11-19(12-10-18)24(4,5)6;1-7-8-13-29-23(28)31-16-30-22(21-14-17(2)26-27(21)6)20(15-25)18-9-11-19(12-10-18)24(3,4)5/h10-13,15H,7-9,14,17H2,1-6H3;8-12,16H,14-15H2,1-7H3;9-13,17H,8,15H2,1-7H3;9-12,14H,7-8,13,16H2,1-6H3/b23-21-;3*22-20-
InChIKeyLWBSOHIICAFDAI-KESHDZQNSA-N
XLogP21.63
TPSA345.48 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds31
Heavy Atoms125
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001716.14
LogP ≤ 521.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze butan-2-yl [(E)-2-(4-tert-butylphenyl)-2-cyano-1-(2,5-dimethylpyrazol-3-yl)ethenoxy]methyl carbonate;butyl [(E)-2-(4-tert-butylphenyl)-2-cyano-1-(2,5-dimethylpyrazol-3-yl)ethenoxy]methyl carbonate;[(E)-2-(4-tert-butylphenyl)-2-cyano-1-(2,5-dimethylpyrazol-3-yl)ethenoxy]methyl 2-methylpropyl carbonate;[(E)-2-(4-tert-butylphenyl)-2-cyano-1-(2,5-dimethylpyrazol-3-yl)ethenoxy]methyl pentyl carbonate with MolForge

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Launch Full Analysis

Related Compounds

[(E)-2-(4-tert-butylphenyl)-1-(4-chloro-1,3-dimethylpyrazol-5-yl)-2-cyanoethenoxy]methyl pentyl carbonate
CID 155243770
1-[(E)-2-(4-tert-butylphenyl)-2-cyano-1-(2,5-dimethylpyrazol-3-yl)ethenoxy]ethyl butanoate
CID 155243285
[(E)-2-(4-tert-butylphenyl)-2-cyano-1-(2-ethyl-4,5-dimethylpyrazol-3-yl)ethenoxy]methyl pentyl carbonate
CID 155243304
[(E)-2-(4-tert-butylphenyl)-1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-2-cyanoethenoxy]methyl pentyl carbonate
CID 155243700
1-[(E)-2-(4-tert-butylphenyl)-2-cyano-1-(2-ethyl-5-methylpyrazol-3-yl)ethenoxy]ethyl 2-methoxyethyl carbonate
CID 155243954
[(E)-2-(4-tert-butylphenyl)-2-cyano-1-(2-ethyl-5-methylpyrazol-3-yl)ethenoxy]methyl propanoate
CID 155243769
1-[(E)-2-(4-tert-butylphenyl)-2-cyano-1-(2-ethyl-5-methylpyrazol-3-yl)ethenoxy]ethyl 2-methylsulfanylethyl carbonate
CID 155243952
1-[(E)-2-(4-tert-butylphenyl)-2-cyano-1-(2,5-dimethylpyrazol-3-yl)ethenoxy]ethyl benzoate
CID 155243890
[(E)-2-(4-tert-butylphenyl)-2-cyano-1-(2-ethyl-5-methylpyrazol-3-yl)ethenoxy]methyl 2,2-dimethylbutanoate
CID 155243794
1-[(E)-2-(4-tert-butylphenyl)-2-cyano-1-(2-ethyl-5-methylpyrazol-3-yl)ethenoxy]ethyl 2,2-dimethylpropanoate
CID 155243907
1-[(E)-2-(2H-azirin-2-yl)-2-(4-tert-butylphenyl)-1-(2,5-dimethylpyrazol-3-yl)ethenoxy]ethyl 2-chloroethyl carbonate
CID 155243303
[(E)-2-(2H-azirin-2-yl)-2-(4-tert-butylphenyl)-1-(2,4,5-trimethylpyrazol-3-yl)ethenoxy]methyl pentyl carbonate
CID 155243161

Frequently Asked Questions

What is the IUPAC name of butan-2-yl [(E)-2-(4-tert-butylphenyl)-2-cyano-1-(2,5-dimethylpyrazol-3-yl)ethenoxy]methyl carbonate;butyl [(E)-2-(4-tert-butylphenyl)-2-cyano-1-(2,5-dimethylpyrazol-3-yl)ethenoxy]methyl carbonate;[(E)-2-(4-tert-butylphenyl)-2-cyano-1-(2,5-dimethylpyrazol-3-yl)ethenoxy]methyl 2-methylpropyl carbonate;[(E)-2-(4-tert-butylphenyl)-2-cyano-1-(2,5-dimethylpyrazol-3-yl)ethenoxy]methyl pentyl carbonate?
The IUPAC name of butan-2-yl [(E)-2-(4-tert-butylphenyl)-2-cyano-1-(2,5-dimethylpyrazol-3-yl)ethenoxy]methyl carbonate;butyl [(E)-2-(4-tert-butylphenyl)-2-cyano-1-(2,5-dimethylpyrazol-3-yl)ethenoxy]methyl carbonate;[(E)-2-(4-tert-butylphenyl)-2-cyano-1-(2,5-dimethylpyrazol-3-yl)ethenoxy]methyl 2-methylpropyl carbonate;[(E)-2-(4-tert-butylphenyl)-2-cyano-1-(2,5-dimethylpyrazol-3-yl)ethenoxy]methyl pentyl carbonate (CID 159473429) is butan-2-yl [(E)-2-(4-tert-butylphenyl)-2-cyano-1-(2,5-dimethylpyrazol-3-yl)ethenoxy]methyl carbonate;butyl [(E)-2-(4-tert-butylphenyl)-2-cyano-1-(2,5-dimethylpyrazol-3-yl)ethenoxy]methyl carbonate;[(E)-2-(4-tert-butylphenyl)-2-cyano-1-(2,5-dimethylpyrazol-3-yl)ethenoxy]methyl 2-methylpropyl carbonate;[(E)-2-(4-tert-butylphenyl)-2-cyano-1-(2,5-dimethylpyrazol-3-yl)ethenoxy]methyl pentyl carbonate.
What is the SMILES notation for butan-2-yl [(E)-2-(4-tert-butylphenyl)-2-cyano-1-(2,5-dimethylpyrazol-3-yl)ethenoxy]methyl carbonate;butyl [(E)-2-(4-tert-butylphenyl)-2-cyano-1-(2,5-dimethylpyrazol-3-yl)ethenoxy]methyl carbonate;[(E)-2-(4-tert-butylphenyl)-2-cyano-1-(2,5-dimethylpyrazol-3-yl)ethenoxy]methyl 2-methylpropyl carbonate;[(E)-2-(4-tert-butylphenyl)-2-cyano-1-(2,5-dimethylpyrazol-3-yl)ethenoxy]methyl pentyl carbonate?
The canonical SMILES for butan-2-yl [(E)-2-(4-tert-butylphenyl)-2-cyano-1-(2,5-dimethylpyrazol-3-yl)ethenoxy]methyl carbonate;butyl [(E)-2-(4-tert-butylphenyl)-2-cyano-1-(2,5-dimethylpyrazol-3-yl)ethenoxy]methyl carbonate;[(E)-2-(4-tert-butylphenyl)-2-cyano-1-(2,5-dimethylpyrazol-3-yl)ethenoxy]methyl 2-methylpropyl carbonate;[(E)-2-(4-tert-butylphenyl)-2-cyano-1-(2,5-dimethylpyrazol-3-yl)ethenoxy]methyl pentyl carbonate is CCC(C)OC(=O)OCO/C(=C(/C#N)c1ccc(C(C)(C)C)cc1)c1cc(C)nn1C.CCCCCOC(=O)OCO/C(=C(/C#N)c1ccc(C(C)(C)C)cc1)c1cc(C)nn1C.CCCCOC(=O)OCO/C(=C(/C#N)c1ccc(C(C)(C)C)cc1)c1cc(C)nn1C.Cc1cc(/C(OCOC(=O)OCC(C)C)=C(\C#N)c2ccc(C(C)(C)C)cc2)n(C)n1.
What is the InChIKey of butan-2-yl [(E)-2-(4-tert-butylphenyl)-2-cyano-1-(2,5-dimethylpyrazol-3-yl)ethenoxy]methyl carbonate;butyl [(E)-2-(4-tert-butylphenyl)-2-cyano-1-(2,5-dimethylpyrazol-3-yl)ethenoxy]methyl carbonate;[(E)-2-(4-tert-butylphenyl)-2-cyano-1-(2,5-dimethylpyrazol-3-yl)ethenoxy]methyl 2-methylpropyl carbonate;[(E)-2-(4-tert-butylphenyl)-2-cyano-1-(2,5-dimethylpyrazol-3-yl)ethenoxy]methyl pentyl carbonate?
The InChIKey is LWBSOHIICAFDAI-KESHDZQNSA-N. The full InChI is InChI=1S/C25H33N3O4.3C24H31N3O4/c1-7-8-9-14-30-24(29)32-17-31-23(22-15-18(2)27-28(22)6)21(16-26)19-10-12-20(13-11-19)25(3,4)5;1-16(2)14-29-23(28)31-15-30-22(21-12-17(3)26-27(21)7)20(13-25)18-8-10-19(11-9-18)24(4,5)6;1-8-17(3)31-23(28)30-15-29-22(21-13-16(2)26-27(21)7)20(14-25)18-9-11-19(12-10-18)24(4,5)6;1-7-8-13-29-23(28)31-16-30-22(21-14-17(2)26-27(21)6)20(15-25)18-9-11-19(12-10-18)24(3,4)5/h10-13,15H,7-9,14,17H2,1-6H3;8-12,16H,14-15H2,1-7H3;9-13,17H,8,15H2,1-7H3;9-12,14H,7-8,13,16H2,1-6H3/b23-21-;3*22-20-.
What are the key properties of butan-2-yl [(E)-2-(4-tert-butylphenyl)-2-cyano-1-(2,5-dimethylpyrazol-3-yl)ethenoxy]methyl carbonate;butyl [(E)-2-(4-tert-butylphenyl)-2-cyano-1-(2,5-dimethylpyrazol-3-yl)ethenoxy]methyl carbonate;[(E)-2-(4-tert-butylphenyl)-2-cyano-1-(2,5-dimethylpyrazol-3-yl)ethenoxy]methyl 2-methylpropyl carbonate;[(E)-2-(4-tert-butylphenyl)-2-cyano-1-(2,5-dimethylpyrazol-3-yl)ethenoxy]methyl pentyl carbonate?
butan-2-yl [(E)-2-(4-tert-butylphenyl)-2-cyano-1-(2,5-dimethylpyrazol-3-yl)ethenoxy]methyl carbonate;butyl [(E)-2-(4-tert-butylphenyl)-2-cyano-1-(2,5-dimethylpyrazol-3-yl)ethenoxy]methyl carbonate;[(E)-2-(4-tert-butylphenyl)-2-cyano-1-(2,5-dimethylpyrazol-3-yl)ethenoxy]methyl 2-methylpropyl carbonate;[(E)-2-(4-tert-butylphenyl)-2-cyano-1-(2,5-dimethylpyrazol-3-yl)ethenoxy]methyl pentyl carbonate has a molecular weight of 1716.14 g/mol, XLogP of 21.63, 31 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl [(E)-2-(4-tert-butylphenyl)-2-cyano-1-(2,5-dimethylpyrazol-3-yl)ethenoxy]methyl carbonate;butyl [(E)-2-(4-tert-butylphenyl)-2-cyano-1-(2,5-dimethylpyrazol-3-yl)ethenoxy]methyl carbonate;[(E)-2-(4-tert-butylphenyl)-2-cyano-1-(2,5-dimethylpyrazol-3-yl)ethenoxy]methyl 2-methylpropyl carbonate;[(E)-2-(4-tert-butylphenyl)-2-cyano-1-(2,5-dimethylpyrazol-3-yl)ethenoxy]methyl pentyl carbonate is sourced from PubChem (CID 159473429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).