4-(3-tert-butyl-5-chloro-4-fluorophenyl)-3,5-dimethyl-1H-pyrazole;1-(3-tert-butyl-5-chloro-4-fluorophenyl)triazole;4-(3-tert-butyl-5-chloro-4-fluorophenyl)-1,3,5-trimethylpyrazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-ethylpyrazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-(2-methoxyethyl)pyrazole;5-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-methylimidazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-methylpyrazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-propan-2-ylpyrazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-propylpyrazole

C140H179Cl3F9N19O — CID 165006572

IUPAC4-(3-tert-butyl-5-chloro-4-fluorophenyl)-3,5-dimethyl-1H-pyrazole;1-(3-tert-butyl-5-chloro-4-fluorophenyl)triazole;4-(3-tert-butyl-5-chloro-4-fluorophenyl)-1,3,5-trimethylpyrazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-ethylpyrazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-(2-methoxyethyl)pyrazole;5-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-methylimidazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-methylpyrazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-propan-2-ylpyrazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-propylpyrazole
SMILESCC(C)(C)c1cc(-n2ccnn2)cc(Cl)c1F.CCCn1cc(-c2cc(C)c(F)c(C(C)(C)C)c2)cn1.CCn1cc(-c2cc(C)c(F)c(C(C)(C)C)c2)cn1.COCCn1cc(-c2cc(C)c(F)c(C(C)(C)C)c2)cn1.Cc1cc(-c2cncn2C)cc(C(C)(C)C)c1F.Cc1cc(-c2cnn(C(C)C)c2)cc(C(C)(C)C)c1F.Cc1cc(-c2cnn(C)c2)cc(C(C)(C)C)c1F.Cc1n[nH]c(C)c1-c1cc(Cl)c(F)c(C(C)(C)C)c1.Cc1nn(C)c(C)c1-c1cc(Cl)c(F)c(C(C)(C)C)c1
InChIInChI=1S/C17H23FN2O.2C17H23FN2.C16H20ClFN2.C16H21FN2.C15H18ClFN2.2C15H19FN2.C12H13ClFN3/c1-12-8-13(9-15(16(12)18)17(2,3)4)14-10-19-20(11-14)6-7-21-5;1-11(2)20-10-14(9-19-20)13-7-12(3)16(18)15(8-13)17(4,5)6;1-6-7-20-11-14(10-19-20)13-8-12(2)16(18)15(9-13)17(3,4)5;1-9-14(10(2)20(6)19-9)11-7-12(16(3,4)5)15(18)13(17)8-11;1-6-19-10-13(9-18-19)12-7-11(2)15(17)14(8-12)16(3,4)5;1-8-13(9(2)19-18-8)10-6-11(15(3,4)5)14(17)12(16)7-10;1-10-6-11(12-8-17-18(5)9-12)7-13(14(10)16)15(2,3)4;1-10-6-11(13-8-17-9-18(13)5)7-12(14(10)16)15(2,3)4;1-12(2,3)9-6-8(7-10(13)11(9)14)17-5-4-15-16-17/h8-11H,6-7H2,1-5H3;7-11H,1-6H3;8-11H,6-7H2,1-5H3;7-8H,1-6H3;7-10H,6H2,1-5H3;6-7H,1-5H3,(H,18,19);2*6-9H,1-5H3;4-7H,1-3H3
InChIKeyJBAQYPNNRHMDAC-UHFFFAOYSA-N
MW2421.44 g/mol
LogP38.44
Rot. Bonds16

About 4-(3-tert-butyl-5-chloro-4-fluorophenyl)-3,5-dimethyl-1H-pyrazole;1-(3-tert-butyl-5-chloro-4-fluorophenyl)triazole;4-(3-tert-butyl-5-chloro-4-fluorophenyl)-1,3,5-trimethylpyrazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-ethylpyrazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-(2-methoxyethyl)pyrazole;5-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-methylimidazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-methylpyrazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-propan-2-ylpyrazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-propylpyrazole

4-(3-tert-butyl-5-chloro-4-fluorophenyl)-3,5-dimethyl-1H-pyrazole;1-(3-tert-butyl-5-chloro-4-fluorophenyl)triazole;4-(3-tert-butyl-5-chloro-4-fluorophenyl)-1,3,5-trimethylpyrazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-ethylpyrazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-(2-methoxyethyl)pyrazole;5-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-methylimidazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-methylpyrazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-propan-2-ylpyrazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-propylpyrazole (PubChem CID 165006572) has the molecular formula C140H179Cl3F9N19O and a molecular weight of 2421.44 g/mol. Its IUPAC name is 4-(3-tert-butyl-5-chloro-4-fluorophenyl)-3,5-dimethyl-1H-pyrazole;1-(3-tert-butyl-5-chloro-4-fluorophenyl)triazole;4-(3-tert-butyl-5-chloro-4-fluorophenyl)-1,3,5-trimethylpyrazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-ethylpyrazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-(2-methoxyethyl)pyrazole;5-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-methylimidazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-methylpyrazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-propan-2-ylpyrazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-propylpyrazole.

Molecular Properties

Compound Name4-(3-tert-butyl-5-chloro-4-fluorophenyl)-3,5-dimethyl-1H-pyrazole;1-(3-tert-butyl-5-chloro-4-fluorophenyl)triazole;4-(3-tert-butyl-5-chloro-4-fluorophenyl)-1,3,5-trimethylpyrazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-ethylpyrazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-(2-methoxyethyl)pyrazole;5-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-methylimidazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-methylpyrazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-propan-2-ylpyrazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-propylpyrazole
PubChem CID165006572
Molecular FormulaC140H179Cl3F9N19O
Molecular Weight2421.44 g/mol
Exact Mass2418.35
IUPAC Name4-(3-tert-butyl-5-chloro-4-fluorophenyl)-3,5-dimethyl-1H-pyrazole;1-(3-tert-butyl-5-chloro-4-fluorophenyl)triazole;4-(3-tert-butyl-5-chloro-4-fluorophenyl)-1,3,5-trimethylpyrazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-ethylpyrazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-(2-methoxyethyl)pyrazole;5-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-methylimidazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-methylpyrazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-propan-2-ylpyrazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-propylpyrazole
SMILESCC(C)(C)c1cc(-n2ccnn2)cc(Cl)c1F.CCCn1cc(-c2cc(C)c(F)c(C(C)(C)C)c2)cn1.CCn1cc(-c2cc(C)c(F)c(C(C)(C)C)c2)cn1.COCCn1cc(-c2cc(C)c(F)c(C(C)(C)C)c2)cn1.Cc1cc(-c2cncn2C)cc(C(C)(C)C)c1F.Cc1cc(-c2cnn(C(C)C)c2)cc(C(C)(C)C)c1F.Cc1cc(-c2cnn(C)c2)cc(C(C)(C)C)c1F.Cc1n[nH]c(C)c1-c1cc(Cl)c(F)c(C(C)(C)C)c1.Cc1nn(C)c(C)c1-c1cc(Cl)c(F)c(C(C)(C)C)c1
InChIInChI=1S/C17H23FN2O.2C17H23FN2.C16H20ClFN2.C16H21FN2.C15H18ClFN2.2C15H19FN2.C12H13ClFN3/c1-12-8-13(9-15(16(12)18)17(2,3)4)14-10-19-20(11-14)6-7-21-5;1-11(2)20-10-14(9-19-20)13-7-12(3)16(18)15(8-13)17(4,5)6;1-6-7-20-11-14(10-19-20)13-8-12(2)16(18)15(9-13)17(3,4)5;1-9-14(10(2)20(6)19-9)11-7-12(16(3,4)5)15(18)13(17)8-11;1-6-19-10-13(9-18-19)12-7-11(2)15(17)14(8-12)16(3,4)5;1-8-13(9(2)19-18-8)10-6-11(15(3,4)5)14(17)12(16)7-10;1-10-6-11(12-8-17-18(5)9-12)7-13(14(10)16)15(2,3)4;1-10-6-11(13-8-17-9-18(13)5)7-12(14(10)16)15(2,3)4;1-12(2,3)9-6-8(7-10(13)11(9)14)17-5-4-15-16-17/h8-11H,6-7H2,1-5H3;7-11H,1-6H3;8-11H,6-7H2,1-5H3;7-8H,1-6H3;7-10H,6H2,1-5H3;6-7H,1-5H3,(H,18,19);2*6-9H,1-5H3;4-7H,1-3H3
InChIKeyJBAQYPNNRHMDAC-UHFFFAOYSA-N
XLogP38.44
TPSA193.36 Ų
H-Bond Donors1
H-Bond Acceptors19
Rotatable Bonds16
Heavy Atoms172
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002421.44
LogP ≤ 538.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1019

Analyze 4-(3-tert-butyl-5-chloro-4-fluorophenyl)-3,5-dimethyl-1H-pyrazole;1-(3-tert-butyl-5-chloro-4-fluorophenyl)triazole;4-(3-tert-butyl-5-chloro-4-fluorophenyl)-1,3,5-trimethylpyrazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-ethylpyrazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-(2-methoxyethyl)pyrazole;5-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-methylimidazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-methylpyrazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-propan-2-ylpyrazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-propylpyrazole with MolForge

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Launch Full Analysis

Related Compounds

1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)pyrazole-4-carbonitrile;4-(4-chloro-2-propan-2-ylphenyl)-1-(difluoromethyl)pyrazole;bis(1-(4-chloro-2-propan-2-ylphenyl)-4-ethenylimidazole);bis(4-(4-chloro-2-propan-2-ylphenyl)-1-ethenylpyrazole);4-(4-chloro-2-propan-2-ylphenyl)-1-ethylpyrazole;1-(4-chloro-2-propan-2-ylphenyl)imidazole-4-carbonitrile;1-(4-chloro-2-propan-2-ylphenyl)-5-methylimidazole;4-(4-chloro-2-propan-2-ylphenyl)-1-methylpyrazole;4-(4-chloro-2-propan-2-ylphenyl)-1-phenylpyrazole;4-(4-chloro-2-propan-2-ylphenyl)-1H-pyrazole;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)pyrazole;4-(4-chloro-2-propan-2-ylphenyl)-1-(trifluoromethyl)pyrazole;ethane
CID 157364606
N-[(E)-[5-(2-chloro-4-pyrazol-1-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[2-chloro-4-(1H-pyrazol-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[2-methyl-4-(1H-pyrazol-4-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-(1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-(1H-pyrazol-5-yl)-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine
CID 172940323
N-[(E)-[5-[3-chloro-4-(4-methyl-1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-4-(3-methyl-2H-pyrrol-5-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-4-(1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-5-(1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyridin-3-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyridin-3-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine
CID 172950770
N-[(E)-[5-[2-chloro-4-(1H-pyrazol-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-4-(1H-pyrazol-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[4-(1H-imidazol-3-ium-3-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[2-methyl-4-(1H-pyrazol-4-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-(1H-pyrazol-5-yl)-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine
CID 172954605
N-[(E)-[5-[3-chloro-5-(3-methylpyrrolidin-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyrrolidin-1-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyrrolidin-2-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyrrolidin-2-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine
CID 172959180
5-tert-butyl-1-methylindole;5-chloro-1-methyl-7-propan-2-ylindazole;5-chloro-1-methyl-7-propan-2-yl-1H-isoindole;6-chloro-4-propan-2-yl-1H-benzimidazole;6-chloro-4-propan-2-yl-1H-indazole;2-(5-chloro-7-propan-2-ylindazol-1-yl)ethanol;5-chloro-7-propan-2-yl-1H-indole;5-(4-chloro-2-propan-2-ylphenyl)pyrimidine
CID 157811008
5-chloro-1-methyl-7-propan-2-ylindazole;6-chloro-4-propan-2-yl-1H-benzimidazole;6-chloro-4-propan-2-yl-1H-indazole;2-(5-chloro-7-propan-2-ylindazol-1-yl)ethanol;5-chloro-7-propan-2-yl-1H-indole;1-methyl-5-propan-2-ylindole
CID 159472122
4-[3-(4-chlorophenyl)-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrazol-4-yl]pyridine;4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyridine;4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-amine;4-[2-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrrol-3-yl]pyridine;4-[3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]propyl]morpholine
CID 159864415
1-(2-tert-butyl-4-fluorophenyl)pyrazole;1-(3-tert-butyl-5-methylphenyl)pyrazole;1-(3-tert-butylphenyl)-4-ethylpyrazole;1-(2-tert-butylphenyl)imidazole;1-(3-tert-butylphenyl)imidazole;1-(3-tert-butylphenyl)-3-methylpyrazole;bis(1-(3-tert-butylphenyl)-4-methylpyrazole);4-(3-tert-butylphenyl)-1-methylpyrazole;1-(3-tert-butylphenyl)pyrazole;4-(3-tert-butylphenyl)-1H-pyrazole
CID 161173566
1-(2-tert-butyl-4-fluorophenyl)pyrazole;1-(3-tert-butyl-5-methylphenyl)pyrazole;1-(3-tert-butylphenyl)-4-ethylpyrazole;1-(3-tert-butylphenyl)-4-fluoropyrazole;1-(2-tert-butylphenyl)imidazole;1-(3-tert-butylphenyl)imidazole;1-(3-tert-butylphenyl)-3-methylpyrazole;1-(3-tert-butylphenyl)-4-methylpyrazole;4-(3-tert-butylphenyl)-1-methylpyrazole;1-(3-tert-butylphenyl)pyrazole;4-(3-tert-butylphenyl)-1H-pyrazole;methane
CID 161601780
5-tert-butyl-1-methylindole;5-chloro-1-methyl-7-propan-2-ylindazole;5-chloro-1-methyl-7-propan-2-ylindole;6-chloro-4-propan-2-yl-1H-benzimidazole;6-chloro-4-propan-2-yl-1H-indazole;2-(5-chloro-7-propan-2-ylindazol-1-yl)ethanol;5-chloro-7-propan-2-yl-1H-indole;5-(4-chloro-2-propan-2-ylphenyl)pyrimidine
CID 161681975
4-(3-Tert-butyl-5-chloro-4-fluorophenyl)-1-ethylimidazole;2-[4-(3-tert-butyl-5-chloro-4-fluorophenyl)imidazol-1-yl]ethanol;4-(3-tert-butyl-5-chloro-4-fluorophenyl)-1-(2-methoxyethyl)imidazole;1-(3-tert-butyl-5-chloro-4-fluorophenyl)-3-methyl-1,2,4-triazole;1-(3-tert-butyl-5-chloro-4-fluorophenyl)-4-methyltriazole;1-(3-tert-butyl-5-chloro-4-fluorophenyl)-5-methyl-1,2,4-triazole;4-(3-tert-butyl-5-chloro-4-fluorophenyl)-1-methyltriazole;4-(3-tert-butyl-5-chloro-4-fluorophenyl)-1-propan-2-ylimidazole;4-(3-tert-butyl-5-chloro-4-fluorophenyl)-1-propylimidazole
CID 165010918

Frequently Asked Questions

What is the IUPAC name of 4-(3-tert-butyl-5-chloro-4-fluorophenyl)-3,5-dimethyl-1H-pyrazole;1-(3-tert-butyl-5-chloro-4-fluorophenyl)triazole;4-(3-tert-butyl-5-chloro-4-fluorophenyl)-1,3,5-trimethylpyrazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-ethylpyrazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-(2-methoxyethyl)pyrazole;5-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-methylimidazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-methylpyrazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-propan-2-ylpyrazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-propylpyrazole?
The IUPAC name of 4-(3-tert-butyl-5-chloro-4-fluorophenyl)-3,5-dimethyl-1H-pyrazole;1-(3-tert-butyl-5-chloro-4-fluorophenyl)triazole;4-(3-tert-butyl-5-chloro-4-fluorophenyl)-1,3,5-trimethylpyrazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-ethylpyrazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-(2-methoxyethyl)pyrazole;5-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-methylimidazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-methylpyrazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-propan-2-ylpyrazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-propylpyrazole (CID 165006572) is 4-(3-tert-butyl-5-chloro-4-fluorophenyl)-3,5-dimethyl-1H-pyrazole;1-(3-tert-butyl-5-chloro-4-fluorophenyl)triazole;4-(3-tert-butyl-5-chloro-4-fluorophenyl)-1,3,5-trimethylpyrazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-ethylpyrazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-(2-methoxyethyl)pyrazole;5-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-methylimidazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-methylpyrazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-propan-2-ylpyrazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-propylpyrazole.
What is the SMILES notation for 4-(3-tert-butyl-5-chloro-4-fluorophenyl)-3,5-dimethyl-1H-pyrazole;1-(3-tert-butyl-5-chloro-4-fluorophenyl)triazole;4-(3-tert-butyl-5-chloro-4-fluorophenyl)-1,3,5-trimethylpyrazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-ethylpyrazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-(2-methoxyethyl)pyrazole;5-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-methylimidazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-methylpyrazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-propan-2-ylpyrazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-propylpyrazole?
The canonical SMILES for 4-(3-tert-butyl-5-chloro-4-fluorophenyl)-3,5-dimethyl-1H-pyrazole;1-(3-tert-butyl-5-chloro-4-fluorophenyl)triazole;4-(3-tert-butyl-5-chloro-4-fluorophenyl)-1,3,5-trimethylpyrazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-ethylpyrazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-(2-methoxyethyl)pyrazole;5-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-methylimidazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-methylpyrazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-propan-2-ylpyrazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-propylpyrazole is CC(C)(C)c1cc(-n2ccnn2)cc(Cl)c1F.CCCn1cc(-c2cc(C)c(F)c(C(C)(C)C)c2)cn1.CCn1cc(-c2cc(C)c(F)c(C(C)(C)C)c2)cn1.COCCn1cc(-c2cc(C)c(F)c(C(C)(C)C)c2)cn1.Cc1cc(-c2cncn2C)cc(C(C)(C)C)c1F.Cc1cc(-c2cnn(C(C)C)c2)cc(C(C)(C)C)c1F.Cc1cc(-c2cnn(C)c2)cc(C(C)(C)C)c1F.Cc1n[nH]c(C)c1-c1cc(Cl)c(F)c(C(C)(C)C)c1.Cc1nn(C)c(C)c1-c1cc(Cl)c(F)c(C(C)(C)C)c1.
What is the InChIKey of 4-(3-tert-butyl-5-chloro-4-fluorophenyl)-3,5-dimethyl-1H-pyrazole;1-(3-tert-butyl-5-chloro-4-fluorophenyl)triazole;4-(3-tert-butyl-5-chloro-4-fluorophenyl)-1,3,5-trimethylpyrazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-ethylpyrazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-(2-methoxyethyl)pyrazole;5-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-methylimidazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-methylpyrazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-propan-2-ylpyrazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-propylpyrazole?
The InChIKey is JBAQYPNNRHMDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O.2C17H23FN2.C16H20ClFN2.C16H21FN2.C15H18ClFN2.2C15H19FN2.C12H13ClFN3/c1-12-8-13(9-15(16(12)18)17(2,3)4)14-10-19-20(11-14)6-7-21-5;1-11(2)20-10-14(9-19-20)13-7-12(3)16(18)15(8-13)17(4,5)6;1-6-7-20-11-14(10-19-20)13-8-12(2)16(18)15(9-13)17(3,4)5;1-9-14(10(2)20(6)19-9)11-7-12(16(3,4)5)15(18)13(17)8-11;1-6-19-10-13(9-18-19)12-7-11(2)15(17)14(8-12)16(3,4)5;1-8-13(9(2)19-18-8)10-6-11(15(3,4)5)14(17)12(16)7-10;1-10-6-11(12-8-17-18(5)9-12)7-13(14(10)16)15(2,3)4;1-10-6-11(13-8-17-9-18(13)5)7-12(14(10)16)15(2,3)4;1-12(2,3)9-6-8(7-10(13)11(9)14)17-5-4-15-16-17/h8-11H,6-7H2,1-5H3;7-11H,1-6H3;8-11H,6-7H2,1-5H3;7-8H,1-6H3;7-10H,6H2,1-5H3;6-7H,1-5H3,(H,18,19);2*6-9H,1-5H3;4-7H,1-3H3.
What are the key properties of 4-(3-tert-butyl-5-chloro-4-fluorophenyl)-3,5-dimethyl-1H-pyrazole;1-(3-tert-butyl-5-chloro-4-fluorophenyl)triazole;4-(3-tert-butyl-5-chloro-4-fluorophenyl)-1,3,5-trimethylpyrazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-ethylpyrazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-(2-methoxyethyl)pyrazole;5-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-methylimidazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-methylpyrazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-propan-2-ylpyrazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-propylpyrazole?
4-(3-tert-butyl-5-chloro-4-fluorophenyl)-3,5-dimethyl-1H-pyrazole;1-(3-tert-butyl-5-chloro-4-fluorophenyl)triazole;4-(3-tert-butyl-5-chloro-4-fluorophenyl)-1,3,5-trimethylpyrazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-ethylpyrazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-(2-methoxyethyl)pyrazole;5-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-methylimidazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-methylpyrazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-propan-2-ylpyrazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-propylpyrazole has a molecular weight of 2421.44 g/mol, XLogP of 38.44, 16 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-tert-butyl-5-chloro-4-fluorophenyl)-3,5-dimethyl-1H-pyrazole;1-(3-tert-butyl-5-chloro-4-fluorophenyl)triazole;4-(3-tert-butyl-5-chloro-4-fluorophenyl)-1,3,5-trimethylpyrazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-ethylpyrazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-(2-methoxyethyl)pyrazole;5-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-methylimidazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-methylpyrazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-propan-2-ylpyrazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-propylpyrazole is sourced from PubChem (CID 165006572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).