5-chloro-4-ethyl-3-methyl-1-phenylpyrazole;1-chloro-2-ethyl-4-(trifluoromethyl)benzene;2-ethyl-1-fluoro-4-methoxybenzene;2-ethyl-4-fluoro-1-methoxybenzene;1-ethyl-4-fluoro-2-(trifluoromethyl)benzene;4-ethyl-1-fluoro-2-(trifluoromethyl)benzene;2-ethyl-5-(4-nitrophenyl)furan;2-ethyl-1,3-thiazole;2-[(E)-2-methylbut-1-enyl]furan

C83H89Cl2F13N4O6S — CID 158056306

IUPAC5-chloro-4-ethyl-3-methyl-1-phenylpyrazole;1-chloro-2-ethyl-4-(trifluoromethyl)benzene;2-ethyl-1-fluoro-4-methoxybenzene;2-ethyl-4-fluoro-1-methoxybenzene;1-ethyl-4-fluoro-2-(trifluoromethyl)benzene;4-ethyl-1-fluoro-2-(trifluoromethyl)benzene;2-ethyl-5-(4-nitrophenyl)furan;2-ethyl-1,3-thiazole;2-[(E)-2-methylbut-1-enyl]furan
SMILESCC/C(C)=C/c1ccco1.CCc1c(C)nn(-c2ccccc2)c1Cl.CCc1cc(C(F)(F)F)ccc1Cl.CCc1cc(F)ccc1OC.CCc1cc(OC)ccc1F.CCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1.CCc1ccc(F)c(C(F)(F)F)c1.CCc1ccc(F)cc1C(F)(F)F.CCc1nccs1
InChIInChI=1S/C12H13ClN2.C12H11NO3.C9H8ClF3.2C9H8F4.2C9H11FO.C9H12O.C5H7NS/c1-3-11-9(2)14-15(12(11)13)10-7-5-4-6-8-10;1-2-11-7-8-12(16-11)9-3-5-10(6-4-9)13(14)15;1-2-6-5-7(9(11,12)13)3-4-8(6)10;1-2-6-3-4-7(10)5-8(6)9(11,12)13;1-2-6-3-4-8(10)7(5-6)9(11,12)13;1-3-7-6-8(11-2)4-5-9(7)10;1-3-7-6-8(10)4-5-9(7)11-2;1-3-8(2)7-9-5-4-6-10-9;1-2-5-6-3-4-7-5/h4-8H,3H2,1-2H3;3-8H,2H2,1H3;3*3-5H,2H2,1H3;2*4-6H,3H2,1-2H3;4-7H,3H2,1-2H3;3-4H,2H2,1H3/b;;;;;;;8-7+;
InChIKeyFKCCWKVBOQRHSS-PRRUWEBPSA-N
MW1588.59 g/mol
LogP27.14
Rot. Bonds15

About 5-chloro-4-ethyl-3-methyl-1-phenylpyrazole;1-chloro-2-ethyl-4-(trifluoromethyl)benzene;2-ethyl-1-fluoro-4-methoxybenzene;2-ethyl-4-fluoro-1-methoxybenzene;1-ethyl-4-fluoro-2-(trifluoromethyl)benzene;4-ethyl-1-fluoro-2-(trifluoromethyl)benzene;2-ethyl-5-(4-nitrophenyl)furan;2-ethyl-1,3-thiazole;2-[(E)-2-methylbut-1-enyl]furan

5-chloro-4-ethyl-3-methyl-1-phenylpyrazole;1-chloro-2-ethyl-4-(trifluoromethyl)benzene;2-ethyl-1-fluoro-4-methoxybenzene;2-ethyl-4-fluoro-1-methoxybenzene;1-ethyl-4-fluoro-2-(trifluoromethyl)benzene;4-ethyl-1-fluoro-2-(trifluoromethyl)benzene;2-ethyl-5-(4-nitrophenyl)furan;2-ethyl-1,3-thiazole;2-[(E)-2-methylbut-1-enyl]furan (PubChem CID 158056306) has the molecular formula C83H89Cl2F13N4O6S and a molecular weight of 1588.59 g/mol. Its IUPAC name is 5-chloro-4-ethyl-3-methyl-1-phenylpyrazole;1-chloro-2-ethyl-4-(trifluoromethyl)benzene;2-ethyl-1-fluoro-4-methoxybenzene;2-ethyl-4-fluoro-1-methoxybenzene;1-ethyl-4-fluoro-2-(trifluoromethyl)benzene;4-ethyl-1-fluoro-2-(trifluoromethyl)benzene;2-ethyl-5-(4-nitrophenyl)furan;2-ethyl-1,3-thiazole;2-[(E)-2-methylbut-1-enyl]furan.

Molecular Properties

Compound Name5-chloro-4-ethyl-3-methyl-1-phenylpyrazole;1-chloro-2-ethyl-4-(trifluoromethyl)benzene;2-ethyl-1-fluoro-4-methoxybenzene;2-ethyl-4-fluoro-1-methoxybenzene;1-ethyl-4-fluoro-2-(trifluoromethyl)benzene;4-ethyl-1-fluoro-2-(trifluoromethyl)benzene;2-ethyl-5-(4-nitrophenyl)furan;2-ethyl-1,3-thiazole;2-[(E)-2-methylbut-1-enyl]furan
PubChem CID158056306
Molecular FormulaC83H89Cl2F13N4O6S
Molecular Weight1588.59 g/mol
Exact Mass1586.57
IUPAC Name5-chloro-4-ethyl-3-methyl-1-phenylpyrazole;1-chloro-2-ethyl-4-(trifluoromethyl)benzene;2-ethyl-1-fluoro-4-methoxybenzene;2-ethyl-4-fluoro-1-methoxybenzene;1-ethyl-4-fluoro-2-(trifluoromethyl)benzene;4-ethyl-1-fluoro-2-(trifluoromethyl)benzene;2-ethyl-5-(4-nitrophenyl)furan;2-ethyl-1,3-thiazole;2-[(E)-2-methylbut-1-enyl]furan
SMILESCC/C(C)=C/c1ccco1.CCc1c(C)nn(-c2ccccc2)c1Cl.CCc1cc(C(F)(F)F)ccc1Cl.CCc1cc(F)ccc1OC.CCc1cc(OC)ccc1F.CCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1.CCc1ccc(F)c(C(F)(F)F)c1.CCc1ccc(F)cc1C(F)(F)F.CCc1nccs1
InChIInChI=1S/C12H13ClN2.C12H11NO3.C9H8ClF3.2C9H8F4.2C9H11FO.C9H12O.C5H7NS/c1-3-11-9(2)14-15(12(11)13)10-7-5-4-6-8-10;1-2-11-7-8-12(16-11)9-3-5-10(6-4-9)13(14)15;1-2-6-5-7(9(11,12)13)3-4-8(6)10;1-2-6-3-4-7(10)5-8(6)9(11,12)13;1-2-6-3-4-8(10)7(5-6)9(11,12)13;1-3-7-6-8(11-2)4-5-9(7)10;1-3-7-6-8(10)4-5-9(7)11-2;1-3-8(2)7-9-5-4-6-10-9;1-2-5-6-3-4-7-5/h4-8H,3H2,1-2H3;3-8H,2H2,1H3;3*3-5H,2H2,1H3;2*4-6H,3H2,1-2H3;4-7H,3H2,1-2H3;3-4H,2H2,1H3/b;;;;;;;8-7+;
InChIKeyFKCCWKVBOQRHSS-PRRUWEBPSA-N
XLogP27.14
TPSA118.59 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms109
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001588.59
LogP ≤ 527.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-chloro-4-ethyl-3-methyl-1-phenylpyrazole;1-chloro-2-ethyl-4-(trifluoromethyl)benzene;2-ethyl-1-fluoro-4-methoxybenzene;2-ethyl-4-fluoro-1-methoxybenzene;1-ethyl-4-fluoro-2-(trifluoromethyl)benzene;4-ethyl-1-fluoro-2-(trifluoromethyl)benzene;2-ethyl-5-(4-nitrophenyl)furan;2-ethyl-1,3-thiazole;2-[(E)-2-methylbut-1-enyl]furan with MolForge

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Related Compounds

5-chloro-4-ethyl-3-methyl-1-(3-nitrophenyl)pyrazole
CID 66020540
(2,5-dimethoxyphenyl)methyl 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate
CID 8879677
5-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(furan-2-ylmethyl)-3-methyl-1-phenylpyrazole-4-carboxamide
CID 6486849
ethyl 4-[(tert-butylamino)methyl]-5-(4-nitrophenyl)-1-phenylpyrazole-3-carboxylate
CID 162643594
1-(4-azidophenyl)propan-1-one;1-bromo-3-ethylbenzene;1-(3-bromophenyl)propan-1-one;1-tert-butyl-4-ethylbenzene;1,3-dichloro-2-ethylbenzene;1-(3,4-dichlorophenyl)propan-1-one;1-[4-(diethylamino)phenyl]propan-1-one;1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-one;1-(2,5-dimethoxyphenyl)propan-1-one;2,2-dimethylpentan-3-one;1-(2,4-dimethylphenyl)propan-1-one;ethylbenzene;2-ethyl-1-methoxy-4-nitrobenzene;1-ethyl-4-methylbenzene;1-naphthalen-2-ylpropan-1-one;1-(3-nitrophenyl)propan-1-one;1-phenylpropan-1-one;1-[2-(trifluoromethyl)phenyl]butan-2-one
CID 159121571
ethyl (2Z,5S)-5-(2,5-dimethoxyphenyl)-7-methyl-2-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 2293851
ethyl 5-(2,5-dimethoxyphenyl)-7-methyl-2-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 2871671
1-butyl-4-propan-2-ylbenzene;1-tert-butyl-4-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;cumene;2,4-dichloro-1-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-nitro-4-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;4-propan-2-ylbenzoic acid;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-2-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene
CID 161384548
[2-(2-methoxyphenyl)-2-oxoethyl] 5-(4-nitrophenyl)furan-2-carboxylate
CID 7691509
5-[(2-chloro-5-nitrophenoxy)methyl]-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]furan-2-carboxamide
CID 19459474
(2-methoxy-5-nitrophenyl)methyl 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate
CID 55402916
ethyl 4-[(tert-butylamino)methyl]-1-(4-chlorophenyl)-5-(4-nitrophenyl)pyrazole-3-carboxylate
CID 162645172

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-ethyl-3-methyl-1-phenylpyrazole;1-chloro-2-ethyl-4-(trifluoromethyl)benzene;2-ethyl-1-fluoro-4-methoxybenzene;2-ethyl-4-fluoro-1-methoxybenzene;1-ethyl-4-fluoro-2-(trifluoromethyl)benzene;4-ethyl-1-fluoro-2-(trifluoromethyl)benzene;2-ethyl-5-(4-nitrophenyl)furan;2-ethyl-1,3-thiazole;2-[(E)-2-methylbut-1-enyl]furan?
The IUPAC name of 5-chloro-4-ethyl-3-methyl-1-phenylpyrazole;1-chloro-2-ethyl-4-(trifluoromethyl)benzene;2-ethyl-1-fluoro-4-methoxybenzene;2-ethyl-4-fluoro-1-methoxybenzene;1-ethyl-4-fluoro-2-(trifluoromethyl)benzene;4-ethyl-1-fluoro-2-(trifluoromethyl)benzene;2-ethyl-5-(4-nitrophenyl)furan;2-ethyl-1,3-thiazole;2-[(E)-2-methylbut-1-enyl]furan (CID 158056306) is 5-chloro-4-ethyl-3-methyl-1-phenylpyrazole;1-chloro-2-ethyl-4-(trifluoromethyl)benzene;2-ethyl-1-fluoro-4-methoxybenzene;2-ethyl-4-fluoro-1-methoxybenzene;1-ethyl-4-fluoro-2-(trifluoromethyl)benzene;4-ethyl-1-fluoro-2-(trifluoromethyl)benzene;2-ethyl-5-(4-nitrophenyl)furan;2-ethyl-1,3-thiazole;2-[(E)-2-methylbut-1-enyl]furan.
What is the SMILES notation for 5-chloro-4-ethyl-3-methyl-1-phenylpyrazole;1-chloro-2-ethyl-4-(trifluoromethyl)benzene;2-ethyl-1-fluoro-4-methoxybenzene;2-ethyl-4-fluoro-1-methoxybenzene;1-ethyl-4-fluoro-2-(trifluoromethyl)benzene;4-ethyl-1-fluoro-2-(trifluoromethyl)benzene;2-ethyl-5-(4-nitrophenyl)furan;2-ethyl-1,3-thiazole;2-[(E)-2-methylbut-1-enyl]furan?
The canonical SMILES for 5-chloro-4-ethyl-3-methyl-1-phenylpyrazole;1-chloro-2-ethyl-4-(trifluoromethyl)benzene;2-ethyl-1-fluoro-4-methoxybenzene;2-ethyl-4-fluoro-1-methoxybenzene;1-ethyl-4-fluoro-2-(trifluoromethyl)benzene;4-ethyl-1-fluoro-2-(trifluoromethyl)benzene;2-ethyl-5-(4-nitrophenyl)furan;2-ethyl-1,3-thiazole;2-[(E)-2-methylbut-1-enyl]furan is CC/C(C)=C/c1ccco1.CCc1c(C)nn(-c2ccccc2)c1Cl.CCc1cc(C(F)(F)F)ccc1Cl.CCc1cc(F)ccc1OC.CCc1cc(OC)ccc1F.CCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1.CCc1ccc(F)c(C(F)(F)F)c1.CCc1ccc(F)cc1C(F)(F)F.CCc1nccs1.
What is the InChIKey of 5-chloro-4-ethyl-3-methyl-1-phenylpyrazole;1-chloro-2-ethyl-4-(trifluoromethyl)benzene;2-ethyl-1-fluoro-4-methoxybenzene;2-ethyl-4-fluoro-1-methoxybenzene;1-ethyl-4-fluoro-2-(trifluoromethyl)benzene;4-ethyl-1-fluoro-2-(trifluoromethyl)benzene;2-ethyl-5-(4-nitrophenyl)furan;2-ethyl-1,3-thiazole;2-[(E)-2-methylbut-1-enyl]furan?
The InChIKey is FKCCWKVBOQRHSS-PRRUWEBPSA-N. The full InChI is InChI=1S/C12H13ClN2.C12H11NO3.C9H8ClF3.2C9H8F4.2C9H11FO.C9H12O.C5H7NS/c1-3-11-9(2)14-15(12(11)13)10-7-5-4-6-8-10;1-2-11-7-8-12(16-11)9-3-5-10(6-4-9)13(14)15;1-2-6-5-7(9(11,12)13)3-4-8(6)10;1-2-6-3-4-7(10)5-8(6)9(11,12)13;1-2-6-3-4-8(10)7(5-6)9(11,12)13;1-3-7-6-8(11-2)4-5-9(7)10;1-3-7-6-8(10)4-5-9(7)11-2;1-3-8(2)7-9-5-4-6-10-9;1-2-5-6-3-4-7-5/h4-8H,3H2,1-2H3;3-8H,2H2,1H3;3*3-5H,2H2,1H3;2*4-6H,3H2,1-2H3;4-7H,3H2,1-2H3;3-4H,2H2,1H3/b;;;;;;;8-7+;.
What are the key properties of 5-chloro-4-ethyl-3-methyl-1-phenylpyrazole;1-chloro-2-ethyl-4-(trifluoromethyl)benzene;2-ethyl-1-fluoro-4-methoxybenzene;2-ethyl-4-fluoro-1-methoxybenzene;1-ethyl-4-fluoro-2-(trifluoromethyl)benzene;4-ethyl-1-fluoro-2-(trifluoromethyl)benzene;2-ethyl-5-(4-nitrophenyl)furan;2-ethyl-1,3-thiazole;2-[(E)-2-methylbut-1-enyl]furan?
5-chloro-4-ethyl-3-methyl-1-phenylpyrazole;1-chloro-2-ethyl-4-(trifluoromethyl)benzene;2-ethyl-1-fluoro-4-methoxybenzene;2-ethyl-4-fluoro-1-methoxybenzene;1-ethyl-4-fluoro-2-(trifluoromethyl)benzene;4-ethyl-1-fluoro-2-(trifluoromethyl)benzene;2-ethyl-5-(4-nitrophenyl)furan;2-ethyl-1,3-thiazole;2-[(E)-2-methylbut-1-enyl]furan has a molecular weight of 1588.59 g/mol, XLogP of 27.14, 15 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-ethyl-3-methyl-1-phenylpyrazole;1-chloro-2-ethyl-4-(trifluoromethyl)benzene;2-ethyl-1-fluoro-4-methoxybenzene;2-ethyl-4-fluoro-1-methoxybenzene;1-ethyl-4-fluoro-2-(trifluoromethyl)benzene;4-ethyl-1-fluoro-2-(trifluoromethyl)benzene;2-ethyl-5-(4-nitrophenyl)furan;2-ethyl-1,3-thiazole;2-[(E)-2-methylbut-1-enyl]furan is sourced from PubChem (CID 158056306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).