4-(5-tert-butyl-2,4-difluorophenyl)-1-methylpyrazole;4-(4-tert-butyl-2-fluorophenyl)-1-methylpyrazole;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;4-(3-tert-butyl-5-methylphenyl)-1-methylpyrazole;5-tert-butyl-2-(1-methylpyrazol-4-yl)pyridine;1-tert-butyl-3-methylsulfonylbenzene;5-(3-tert-butylphenyl)-1,3-oxazole;5-(4-tert-butylphenyl)-1,3-oxazole;1-(3-tert-butylphenyl)-1,2,4-triazole;1-(4-tert-butylphenyl)-1,2,4-triazole

C141H178F3N21O4S — CID 162008211

IUPAC4-(5-tert-butyl-2,4-difluorophenyl)-1-methylpyrazole;4-(4-tert-butyl-2-fluorophenyl)-1-methylpyrazole;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;4-(3-tert-butyl-5-methylphenyl)-1-methylpyrazole;5-tert-butyl-2-(1-methylpyrazol-4-yl)pyridine;1-tert-butyl-3-methylsulfonylbenzene;5-(3-tert-butylphenyl)-1,3-oxazole;5-(4-tert-butylphenyl)-1,3-oxazole;1-(3-tert-butylphenyl)-1,2,4-triazole;1-(4-tert-butylphenyl)-1,2,4-triazole
SMILESCC(C)(C)c1ccc(-c2cnco2)cc1.CC(C)(C)c1ccc(-n2cncn2)cc1.CC(C)(C)c1cccc(-c2cnco2)c1.CC(C)(C)c1cccc(-n2cncn2)c1.CC(C)(C)c1cccc(S(C)(=O)=O)c1.Cc1cc(-c2cnn(C)c2)cc(C(C)(C)C)c1.Cn1cc(-c2cc(C(C)(C)C)c(F)cc2F)cn1.Cn1cc(-c2ccc(C(C)(C)C)cc2F)cn1.Cn1cc(-c2ccc(C(C)(C)C)cn2)cn1.Cn1ncc2cc(C(C)(C)C)ccc21.Cn1ncc2ccc(C(C)(C)C)cc21
InChIInChI=1S/C15H20N2.C14H16F2N2.C14H17FN2.C13H17N3.2C13H15NO.2C12H15N3.2C12H16N2.C11H16O2S/c1-11-6-12(13-9-16-17(5)10-13)8-14(7-11)15(2,3)4;1-14(2,3)11-5-10(12(15)6-13(11)16)9-7-17-18(4)8-9;1-14(2,3)11-5-6-12(13(15)7-11)10-8-16-17(4)9-10;1-13(2,3)11-5-6-12(14-8-11)10-7-15-16(4)9-10;1-13(2,3)11-6-4-10(5-7-11)12-8-14-9-15-12;1-13(2,3)11-6-4-5-10(7-11)12-8-14-9-15-12;1-12(2,3)10-4-6-11(7-5-10)15-9-13-8-14-15;1-12(2,3)10-5-4-6-11(7-10)15-9-13-8-14-15;1-12(2,3)10-5-6-11-9(7-10)8-13-14(11)4;1-12(2,3)10-6-5-9-8-13-14(4)11(9)7-10;1-11(2,3)9-6-5-7-10(8-9)14(4,12)13/h6-10H,1-5H3;5-8H,1-4H3;5-9H,1-4H3;5-9H,1-4H3;4*4-9H,1-3H3;3*5-8H,1-4H3
InChIKeyYTCURDDSNINTPK-UHFFFAOYSA-N
MW2320.18 g/mol
LogP34.20
Rot. Bonds9

About 4-(5-tert-butyl-2,4-difluorophenyl)-1-methylpyrazole;4-(4-tert-butyl-2-fluorophenyl)-1-methylpyrazole;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;4-(3-tert-butyl-5-methylphenyl)-1-methylpyrazole;5-tert-butyl-2-(1-methylpyrazol-4-yl)pyridine;1-tert-butyl-3-methylsulfonylbenzene;5-(3-tert-butylphenyl)-1,3-oxazole;5-(4-tert-butylphenyl)-1,3-oxazole;1-(3-tert-butylphenyl)-1,2,4-triazole;1-(4-tert-butylphenyl)-1,2,4-triazole

4-(5-tert-butyl-2,4-difluorophenyl)-1-methylpyrazole;4-(4-tert-butyl-2-fluorophenyl)-1-methylpyrazole;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;4-(3-tert-butyl-5-methylphenyl)-1-methylpyrazole;5-tert-butyl-2-(1-methylpyrazol-4-yl)pyridine;1-tert-butyl-3-methylsulfonylbenzene;5-(3-tert-butylphenyl)-1,3-oxazole;5-(4-tert-butylphenyl)-1,3-oxazole;1-(3-tert-butylphenyl)-1,2,4-triazole;1-(4-tert-butylphenyl)-1,2,4-triazole (PubChem CID 162008211) has the molecular formula C141H178F3N21O4S and a molecular weight of 2320.18 g/mol. Its IUPAC name is 4-(5-tert-butyl-2,4-difluorophenyl)-1-methylpyrazole;4-(4-tert-butyl-2-fluorophenyl)-1-methylpyrazole;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;4-(3-tert-butyl-5-methylphenyl)-1-methylpyrazole;5-tert-butyl-2-(1-methylpyrazol-4-yl)pyridine;1-tert-butyl-3-methylsulfonylbenzene;5-(3-tert-butylphenyl)-1,3-oxazole;5-(4-tert-butylphenyl)-1,3-oxazole;1-(3-tert-butylphenyl)-1,2,4-triazole;1-(4-tert-butylphenyl)-1,2,4-triazole.

Molecular Properties

Compound Name4-(5-tert-butyl-2,4-difluorophenyl)-1-methylpyrazole;4-(4-tert-butyl-2-fluorophenyl)-1-methylpyrazole;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;4-(3-tert-butyl-5-methylphenyl)-1-methylpyrazole;5-tert-butyl-2-(1-methylpyrazol-4-yl)pyridine;1-tert-butyl-3-methylsulfonylbenzene;5-(3-tert-butylphenyl)-1,3-oxazole;5-(4-tert-butylphenyl)-1,3-oxazole;1-(3-tert-butylphenyl)-1,2,4-triazole;1-(4-tert-butylphenyl)-1,2,4-triazole
PubChem CID162008211
Molecular FormulaC141H178F3N21O4S
Molecular Weight2320.18 g/mol
Exact Mass2318.40
IUPAC Name4-(5-tert-butyl-2,4-difluorophenyl)-1-methylpyrazole;4-(4-tert-butyl-2-fluorophenyl)-1-methylpyrazole;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;4-(3-tert-butyl-5-methylphenyl)-1-methylpyrazole;5-tert-butyl-2-(1-methylpyrazol-4-yl)pyridine;1-tert-butyl-3-methylsulfonylbenzene;5-(3-tert-butylphenyl)-1,3-oxazole;5-(4-tert-butylphenyl)-1,3-oxazole;1-(3-tert-butylphenyl)-1,2,4-triazole;1-(4-tert-butylphenyl)-1,2,4-triazole
SMILESCC(C)(C)c1ccc(-c2cnco2)cc1.CC(C)(C)c1ccc(-n2cncn2)cc1.CC(C)(C)c1cccc(-c2cnco2)c1.CC(C)(C)c1cccc(-n2cncn2)c1.CC(C)(C)c1cccc(S(C)(=O)=O)c1.Cc1cc(-c2cnn(C)c2)cc(C(C)(C)C)c1.Cn1cc(-c2cc(C(C)(C)C)c(F)cc2F)cn1.Cn1cc(-c2ccc(C(C)(C)C)cc2F)cn1.Cn1cc(-c2ccc(C(C)(C)C)cn2)cn1.Cn1ncc2cc(C(C)(C)C)ccc21.Cn1ncc2ccc(C(C)(C)C)cc21
InChIInChI=1S/C15H20N2.C14H16F2N2.C14H17FN2.C13H17N3.2C13H15NO.2C12H15N3.2C12H16N2.C11H16O2S/c1-11-6-12(13-9-16-17(5)10-13)8-14(7-11)15(2,3)4;1-14(2,3)11-5-10(12(15)6-13(11)16)9-7-17-18(4)8-9;1-14(2,3)11-5-6-12(13(15)7-11)10-8-16-17(4)9-10;1-13(2,3)11-5-6-12(14-8-11)10-7-15-16(4)9-10;1-13(2,3)11-6-4-10(5-7-11)12-8-14-9-15-12;1-13(2,3)11-6-4-5-10(7-11)12-8-14-9-15-12;1-12(2,3)10-4-6-11(7-5-10)15-9-13-8-14-15;1-12(2,3)10-5-4-6-11(7-10)15-9-13-8-14-15;1-12(2,3)10-5-6-11-9(7-10)8-13-14(11)4;1-12(2,3)10-6-5-9-8-13-14(4)11(9)7-10;1-11(2,3)9-6-5-7-10(8-9)14(4,12)13/h6-10H,1-5H3;5-8H,1-4H3;5-9H,1-4H3;5-9H,1-4H3;4*4-9H,1-3H3;3*5-8H,1-4H3
InChIKeyYTCURDDSNINTPK-UHFFFAOYSA-N
XLogP34.20
TPSA267.43 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds9
Heavy Atoms170
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002320.18
LogP ≤ 534.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Analyze 4-(5-tert-butyl-2,4-difluorophenyl)-1-methylpyrazole;4-(4-tert-butyl-2-fluorophenyl)-1-methylpyrazole;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;4-(3-tert-butyl-5-methylphenyl)-1-methylpyrazole;5-tert-butyl-2-(1-methylpyrazol-4-yl)pyridine;1-tert-butyl-3-methylsulfonylbenzene;5-(3-tert-butylphenyl)-1,3-oxazole;5-(4-tert-butylphenyl)-1,3-oxazole;1-(3-tert-butylphenyl)-1,2,4-triazole;1-(4-tert-butylphenyl)-1,2,4-triazole with MolForge

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Related Compounds

4-(3-tert-butyl-5-fluorophenyl)-1-methylpyrazole;4-(4-tert-butyl-2-fluorophenyl)-1-methylpyrazole;4-(4-tert-butyl-3-fluorophenyl)-1-methylpyrazole;4-(5-tert-butyl-2-fluorophenyl)-1-methylpyrazole;1-tert-butyl-3-methylbenzene;6-tert-butyl-1-methylindazole;bis(5-(3-tert-butylphenyl)-1,3-oxazole);1-(3-tert-butylphenyl)-1,2,4-triazole;1-(4-tert-butylphenyl)-1,2,4-triazole;3-tert-butyl-N-propan-2-ylbenzamide;1-tert-butyl-3-(trifluoromethyl)benzene
CID 160078155
4-(3-Tert-butyl-5-chlorophenyl)-1-methylpyrazole;4-(3-tert-butyl-2,6-difluorophenyl)-1-methylpyrazole;4-(5-tert-butyl-2,4-difluorophenyl)-1-methylpyrazole;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;4-(3-tert-butyl-5-methylphenyl)-1-methylpyrazole;2-tert-butyl-5-(1-methylpyrazol-4-yl)pyridine;2-tert-butyl-6-(1-methylpyrazol-4-yl)pyridine;5-tert-butyl-2-(1-methylpyrazol-4-yl)pyridine;1-tert-butyl-3-methylsulfonylbenzene;4-(3-tert-butylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole;5-(3-tert-butylphenyl)-1,3-oxazole;5-(4-tert-butylphenyl)-1,3-oxazole;1-(3-tert-butylphenyl)-1,2,4-triazole
CID 160131055
4,5-Dimethyl-2-propan-2-yl-1,3-thiazole;1-ethyl-4-propan-2-ylindazole;1-fluoro-2-propan-2-ylbenzene;5-(3-propan-2-ylphenyl)-1,3-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;5-(2-propan-2-yl-4-pyridinyl)-1,3-oxazole;5-(6-propan-2-yl-2-pyridinyl)-1,3-oxazole;2-propan-2-yl-6-pyridin-3-ylpyridine;4-propan-2-ylpyrimidine
CID 157754052
4,5-Dimethyl-2-propan-2-yl-1,3-thiazole;1-ethyl-4-propan-2-ylindazole;3-fluoro-4-propan-2-ylpyridine;5-(3-propan-2-ylphenyl)-1,3-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;5-(2-propan-2-yl-4-pyridinyl)-1,3-oxazole;5-(6-propan-2-yl-2-pyridinyl)-1,3-oxazole;2-propan-2-yl-6-pyridin-3-ylpyridine;4-propan-2-ylpyrimidine
CID 159861048
2-[(4-benzylphenyl)methyl]-3H-1,2-benzothiazole 1,1-dioxide;2-[[4-(2-ethylpyrimidin-5-yl)-2-fluorophenyl]methyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(1-methylindazol-6-yl)phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;6-[[4-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[[4-(5-methyl-1,3-oxazol-2-yl)phenyl]methyl]-3H-1,2-benzothiazole 1,1-dioxide
CID 161378980

Frequently Asked Questions

What is the IUPAC name of 4-(5-tert-butyl-2,4-difluorophenyl)-1-methylpyrazole;4-(4-tert-butyl-2-fluorophenyl)-1-methylpyrazole;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;4-(3-tert-butyl-5-methylphenyl)-1-methylpyrazole;5-tert-butyl-2-(1-methylpyrazol-4-yl)pyridine;1-tert-butyl-3-methylsulfonylbenzene;5-(3-tert-butylphenyl)-1,3-oxazole;5-(4-tert-butylphenyl)-1,3-oxazole;1-(3-tert-butylphenyl)-1,2,4-triazole;1-(4-tert-butylphenyl)-1,2,4-triazole?
The IUPAC name of 4-(5-tert-butyl-2,4-difluorophenyl)-1-methylpyrazole;4-(4-tert-butyl-2-fluorophenyl)-1-methylpyrazole;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;4-(3-tert-butyl-5-methylphenyl)-1-methylpyrazole;5-tert-butyl-2-(1-methylpyrazol-4-yl)pyridine;1-tert-butyl-3-methylsulfonylbenzene;5-(3-tert-butylphenyl)-1,3-oxazole;5-(4-tert-butylphenyl)-1,3-oxazole;1-(3-tert-butylphenyl)-1,2,4-triazole;1-(4-tert-butylphenyl)-1,2,4-triazole (CID 162008211) is 4-(5-tert-butyl-2,4-difluorophenyl)-1-methylpyrazole;4-(4-tert-butyl-2-fluorophenyl)-1-methylpyrazole;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;4-(3-tert-butyl-5-methylphenyl)-1-methylpyrazole;5-tert-butyl-2-(1-methylpyrazol-4-yl)pyridine;1-tert-butyl-3-methylsulfonylbenzene;5-(3-tert-butylphenyl)-1,3-oxazole;5-(4-tert-butylphenyl)-1,3-oxazole;1-(3-tert-butylphenyl)-1,2,4-triazole;1-(4-tert-butylphenyl)-1,2,4-triazole.
What is the SMILES notation for 4-(5-tert-butyl-2,4-difluorophenyl)-1-methylpyrazole;4-(4-tert-butyl-2-fluorophenyl)-1-methylpyrazole;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;4-(3-tert-butyl-5-methylphenyl)-1-methylpyrazole;5-tert-butyl-2-(1-methylpyrazol-4-yl)pyridine;1-tert-butyl-3-methylsulfonylbenzene;5-(3-tert-butylphenyl)-1,3-oxazole;5-(4-tert-butylphenyl)-1,3-oxazole;1-(3-tert-butylphenyl)-1,2,4-triazole;1-(4-tert-butylphenyl)-1,2,4-triazole?
The canonical SMILES for 4-(5-tert-butyl-2,4-difluorophenyl)-1-methylpyrazole;4-(4-tert-butyl-2-fluorophenyl)-1-methylpyrazole;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;4-(3-tert-butyl-5-methylphenyl)-1-methylpyrazole;5-tert-butyl-2-(1-methylpyrazol-4-yl)pyridine;1-tert-butyl-3-methylsulfonylbenzene;5-(3-tert-butylphenyl)-1,3-oxazole;5-(4-tert-butylphenyl)-1,3-oxazole;1-(3-tert-butylphenyl)-1,2,4-triazole;1-(4-tert-butylphenyl)-1,2,4-triazole is CC(C)(C)c1ccc(-c2cnco2)cc1.CC(C)(C)c1ccc(-n2cncn2)cc1.CC(C)(C)c1cccc(-c2cnco2)c1.CC(C)(C)c1cccc(-n2cncn2)c1.CC(C)(C)c1cccc(S(C)(=O)=O)c1.Cc1cc(-c2cnn(C)c2)cc(C(C)(C)C)c1.Cn1cc(-c2cc(C(C)(C)C)c(F)cc2F)cn1.Cn1cc(-c2ccc(C(C)(C)C)cc2F)cn1.Cn1cc(-c2ccc(C(C)(C)C)cn2)cn1.Cn1ncc2cc(C(C)(C)C)ccc21.Cn1ncc2ccc(C(C)(C)C)cc21.
What is the InChIKey of 4-(5-tert-butyl-2,4-difluorophenyl)-1-methylpyrazole;4-(4-tert-butyl-2-fluorophenyl)-1-methylpyrazole;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;4-(3-tert-butyl-5-methylphenyl)-1-methylpyrazole;5-tert-butyl-2-(1-methylpyrazol-4-yl)pyridine;1-tert-butyl-3-methylsulfonylbenzene;5-(3-tert-butylphenyl)-1,3-oxazole;5-(4-tert-butylphenyl)-1,3-oxazole;1-(3-tert-butylphenyl)-1,2,4-triazole;1-(4-tert-butylphenyl)-1,2,4-triazole?
The InChIKey is YTCURDDSNINTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2.C14H16F2N2.C14H17FN2.C13H17N3.2C13H15NO.2C12H15N3.2C12H16N2.C11H16O2S/c1-11-6-12(13-9-16-17(5)10-13)8-14(7-11)15(2,3)4;1-14(2,3)11-5-10(12(15)6-13(11)16)9-7-17-18(4)8-9;1-14(2,3)11-5-6-12(13(15)7-11)10-8-16-17(4)9-10;1-13(2,3)11-5-6-12(14-8-11)10-7-15-16(4)9-10;1-13(2,3)11-6-4-10(5-7-11)12-8-14-9-15-12;1-13(2,3)11-6-4-5-10(7-11)12-8-14-9-15-12;1-12(2,3)10-4-6-11(7-5-10)15-9-13-8-14-15;1-12(2,3)10-5-4-6-11(7-10)15-9-13-8-14-15;1-12(2,3)10-5-6-11-9(7-10)8-13-14(11)4;1-12(2,3)10-6-5-9-8-13-14(4)11(9)7-10;1-11(2,3)9-6-5-7-10(8-9)14(4,12)13/h6-10H,1-5H3;5-8H,1-4H3;5-9H,1-4H3;5-9H,1-4H3;4*4-9H,1-3H3;3*5-8H,1-4H3.
What are the key properties of 4-(5-tert-butyl-2,4-difluorophenyl)-1-methylpyrazole;4-(4-tert-butyl-2-fluorophenyl)-1-methylpyrazole;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;4-(3-tert-butyl-5-methylphenyl)-1-methylpyrazole;5-tert-butyl-2-(1-methylpyrazol-4-yl)pyridine;1-tert-butyl-3-methylsulfonylbenzene;5-(3-tert-butylphenyl)-1,3-oxazole;5-(4-tert-butylphenyl)-1,3-oxazole;1-(3-tert-butylphenyl)-1,2,4-triazole;1-(4-tert-butylphenyl)-1,2,4-triazole?
4-(5-tert-butyl-2,4-difluorophenyl)-1-methylpyrazole;4-(4-tert-butyl-2-fluorophenyl)-1-methylpyrazole;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;4-(3-tert-butyl-5-methylphenyl)-1-methylpyrazole;5-tert-butyl-2-(1-methylpyrazol-4-yl)pyridine;1-tert-butyl-3-methylsulfonylbenzene;5-(3-tert-butylphenyl)-1,3-oxazole;5-(4-tert-butylphenyl)-1,3-oxazole;1-(3-tert-butylphenyl)-1,2,4-triazole;1-(4-tert-butylphenyl)-1,2,4-triazole has a molecular weight of 2320.18 g/mol, XLogP of 34.20, 9 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-tert-butyl-2,4-difluorophenyl)-1-methylpyrazole;4-(4-tert-butyl-2-fluorophenyl)-1-methylpyrazole;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;4-(3-tert-butyl-5-methylphenyl)-1-methylpyrazole;5-tert-butyl-2-(1-methylpyrazol-4-yl)pyridine;1-tert-butyl-3-methylsulfonylbenzene;5-(3-tert-butylphenyl)-1,3-oxazole;5-(4-tert-butylphenyl)-1,3-oxazole;1-(3-tert-butylphenyl)-1,2,4-triazole;1-(4-tert-butylphenyl)-1,2,4-triazole is sourced from PubChem (CID 162008211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).