1,5-dimethyl-4-(4-propan-2-ylphenyl)pyrazole;ethane;methane;1-methyl-5-(4-propan-2-ylphenyl)imidazole;bis(3-methyl-5-(4-propan-2-ylphenyl)-1,2,4-oxadiazole);1-methyl-4-(4-propan-2-ylphenyl)pyrazole;1-(4-propan-2-ylphenyl)triazole

C89H135N13O2 — CID 157208575

IUPAC1,5-dimethyl-4-(4-propan-2-ylphenyl)pyrazole;ethane;methane;1-methyl-5-(4-propan-2-ylphenyl)imidazole;bis(3-methyl-5-(4-propan-2-ylphenyl)-1,2,4-oxadiazole);1-methyl-4-(4-propan-2-ylphenyl)pyrazole;1-(4-propan-2-ylphenyl)triazole
SMILESC.C.CC.CC.CC.CC.CC.CC.CC(C)c1ccc(-c2cncn2C)cc1.CC(C)c1ccc(-c2cnn(C)c2)cc1.CC(C)c1ccc(-n2ccnn2)cc1.Cc1c(-c2ccc(C(C)C)cc2)cnn1C.Cc1noc(-c2ccc(C(C)C)cc2)n1.Cc1noc(-c2ccc(C(C)C)cc2)n1
InChIInChI=1S/C14H18N2.2C13H16N2.2C12H14N2O.C11H13N3.6C2H6.2CH4/c1-10(2)12-5-7-13(8-6-12)14-9-15-16(4)11(14)3;1-10(2)11-4-6-12(7-5-11)13-8-14-9-15(13)3;1-10(2)11-4-6-12(7-5-11)13-8-14-15(3)9-13;2*1-8(2)10-4-6-11(7-5-10)12-13-9(3)14-15-12;1-9(2)10-3-5-11(6-4-10)14-8-7-12-13-14;6*1-2;;/h5-10H,1-4H3;2*4-10H,1-3H3;2*4-8H,1-3H3;3-9H,1-2H3;6*1-2H3;2*1H4
InChIKeyARQAPOXBBQLWIY-UHFFFAOYSA-N
MW1419.15 g/mol
LogP26.10
Rot. Bonds12

About 1,5-dimethyl-4-(4-propan-2-ylphenyl)pyrazole;ethane;methane;1-methyl-5-(4-propan-2-ylphenyl)imidazole;bis(3-methyl-5-(4-propan-2-ylphenyl)-1,2,4-oxadiazole);1-methyl-4-(4-propan-2-ylphenyl)pyrazole;1-(4-propan-2-ylphenyl)triazole

1,5-dimethyl-4-(4-propan-2-ylphenyl)pyrazole;ethane;methane;1-methyl-5-(4-propan-2-ylphenyl)imidazole;bis(3-methyl-5-(4-propan-2-ylphenyl)-1,2,4-oxadiazole);1-methyl-4-(4-propan-2-ylphenyl)pyrazole;1-(4-propan-2-ylphenyl)triazole (PubChem CID 157208575) has the molecular formula C89H135N13O2 and a molecular weight of 1419.15 g/mol. Its IUPAC name is 1,5-dimethyl-4-(4-propan-2-ylphenyl)pyrazole;ethane;methane;1-methyl-5-(4-propan-2-ylphenyl)imidazole;bis(3-methyl-5-(4-propan-2-ylphenyl)-1,2,4-oxadiazole);1-methyl-4-(4-propan-2-ylphenyl)pyrazole;1-(4-propan-2-ylphenyl)triazole.

Molecular Properties

Compound Name1,5-dimethyl-4-(4-propan-2-ylphenyl)pyrazole;ethane;methane;1-methyl-5-(4-propan-2-ylphenyl)imidazole;bis(3-methyl-5-(4-propan-2-ylphenyl)-1,2,4-oxadiazole);1-methyl-4-(4-propan-2-ylphenyl)pyrazole;1-(4-propan-2-ylphenyl)triazole
PubChem CID157208575
Molecular FormulaC89H135N13O2
Molecular Weight1419.15 g/mol
Exact Mass1418.09
IUPAC Name1,5-dimethyl-4-(4-propan-2-ylphenyl)pyrazole;ethane;methane;1-methyl-5-(4-propan-2-ylphenyl)imidazole;bis(3-methyl-5-(4-propan-2-ylphenyl)-1,2,4-oxadiazole);1-methyl-4-(4-propan-2-ylphenyl)pyrazole;1-(4-propan-2-ylphenyl)triazole
SMILESC.C.CC.CC.CC.CC.CC.CC.CC(C)c1ccc(-c2cncn2C)cc1.CC(C)c1ccc(-c2cnn(C)c2)cc1.CC(C)c1ccc(-n2ccnn2)cc1.Cc1c(-c2ccc(C(C)C)cc2)cnn1C.Cc1noc(-c2ccc(C(C)C)cc2)n1.Cc1noc(-c2ccc(C(C)C)cc2)n1
InChIInChI=1S/C14H18N2.2C13H16N2.2C12H14N2O.C11H13N3.6C2H6.2CH4/c1-10(2)12-5-7-13(8-6-12)14-9-15-16(4)11(14)3;1-10(2)11-4-6-12(7-5-11)13-8-14-9-15(13)3;1-10(2)11-4-6-12(7-5-11)13-8-14-15(3)9-13;2*1-8(2)10-4-6-11(7-5-10)12-13-9(3)14-15-12;1-9(2)10-3-5-11(6-4-10)14-8-7-12-13-14;6*1-2;;/h5-10H,1-4H3;2*4-10H,1-3H3;2*4-8H,1-3H3;3-9H,1-2H3;6*1-2H3;2*1H4
InChIKeyARQAPOXBBQLWIY-UHFFFAOYSA-N
XLogP26.10
TPSA162.01 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds12
Heavy Atoms104
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001419.15
LogP ≤ 526.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 1,5-dimethyl-4-(4-propan-2-ylphenyl)pyrazole;ethane;methane;1-methyl-5-(4-propan-2-ylphenyl)imidazole;bis(3-methyl-5-(4-propan-2-ylphenyl)-1,2,4-oxadiazole);1-methyl-4-(4-propan-2-ylphenyl)pyrazole;1-(4-propan-2-ylphenyl)triazole with MolForge

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Related Compounds

3-[6-[3-(4-Fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-phenyl-1,2,4-oxadiazole
CID 22032193
3-[6-[1-[Cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-phenyl-1,2,4-oxadiazole
CID 68812762
methane;7-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[(1R)-1-[4-(triazol-1-yl)phenyl]ethyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 157163912
methane;7-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-methyl-2-(2-propan-2-ylphenyl)-9-[(1R)-1-[4-(triazol-1-yl)phenyl]ethyl]purin-8-one;2-(2-propan-2-ylphenyl)-7-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 157371199
1-[4-(5-Butyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(4-butyltriazol-1-yl)phenyl]-3-(5-fluoro-3-pyridinyl)propan-2-one;4-[3-[3-[4-(4-butyltriazol-1-yl)phenyl]-2-oxopropyl]-4-methylphenyl]butan-2-one;1-[4-[4-(fluoromethyl)triazol-1-yl]phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one
CID 161138853
3-[4-(1H-Imidazol-1-yl)phenyl]-5-[5-methyl-1-(4-methylbenzyl)-1H-pyrazol-3-yl]-1,2,4-oxadiazole
CID 59504680
Benzene;ethane;bis(2-methylpropane);naphthalene;3-phenyl-5-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1,2-oxazole;1-phenyl-4-propan-2-yltriazole;5-(4-propan-2-ylphenyl)-1,2-oxazole;1-(4-propan-2-ylphenyl)pyrazole
CID 157229292
4-(2-Fluoro-4-propan-2-ylphenyl)-1,5-dimethylpyrazole;5-(2-fluoro-4-propan-2-ylphenyl)-1-methylimidazole;5-(2-fluoro-4-propan-2-ylphenyl)-3-methyl-1,2,4-oxadiazole;4-(2-fluoro-4-propan-2-ylphenyl)-1-methylpyrazole;methane;3-methyl-5-(2-methyl-4-propan-2-ylphenyl)-1,2,4-oxadiazole;1-(2-methyl-4-propan-2-ylphenyl)triazole
CID 157363849
Benzene;cumene;ethane;methane;2-methylpropane;naphthalene;3-phenyl-5-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1,2-oxazole;1-phenyl-4-propan-2-yltriazole;5-(4-propan-2-ylphenyl)-1,2-oxazole;1-(4-propan-2-ylphenyl)pyrazole
CID 157719006
1,5-Dimethyl-4-(4-propan-2-ylphenyl)pyrazole;2-(2-methylphenyl)-5-propan-2-ylpyridine;2-(3-methylphenyl)-5-propan-2-ylpyridine;1-methyl-2-(4-propan-2-ylphenyl)benzene;1-methyl-3-(4-propan-2-ylphenyl)benzene;1-methyl-5-(4-propan-2-ylphenyl)imidazole;bis(3-methyl-5-(4-propan-2-ylphenyl)-1,2,4-oxadiazole);1-methyl-4-(4-propan-2-ylphenyl)pyrazole;1-phenyl-4-propan-2-ylbenzene;2-phenyl-5-propan-2-ylpyridine;1-(4-propan-2-ylphenyl)triazole
CID 157762234
2-(4-Tert-butylphenyl)-5-[3-[3-[3-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]phenyl]-1,3,4-oxadiazole;2-tert-butyl-5-[3-[3-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]phenyl]-1,3,4-oxadiazole;4-[3-[3-[3-(2,5-diphenylimidazol-1-yl)phenyl]phenyl]phenyl]-3,5-diphenyl-1,2,4-triazole;4-[4-[3-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]phenyl]phenyl]-3,5-diphenyl-1,2,4-triazole;2-phenyl-5-[3-[3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]phenyl]-1,3,4-oxadiazole;2-propan-2-yl-5-[3-[3-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]phenyl]-1,3,4-oxadiazole
CID 157997031
1,5-Dimethyl-4-(4-propan-2-ylphenyl)pyrazole;1-methyl-2-(4-propan-2-ylphenyl)benzene;1-methyl-3-(4-propan-2-ylphenyl)benzene;1-methyl-5-(4-propan-2-ylphenyl)imidazole;bis(3-methyl-5-(4-propan-2-ylphenyl)-1,2,4-oxadiazole);1-methyl-4-(4-propan-2-ylphenyl)pyrazole;1-phenyl-4-propan-2-ylbenzene;1-(4-propan-2-ylphenyl)triazole
CID 158047499

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-4-(4-propan-2-ylphenyl)pyrazole;ethane;methane;1-methyl-5-(4-propan-2-ylphenyl)imidazole;bis(3-methyl-5-(4-propan-2-ylphenyl)-1,2,4-oxadiazole);1-methyl-4-(4-propan-2-ylphenyl)pyrazole;1-(4-propan-2-ylphenyl)triazole?
The IUPAC name of 1,5-dimethyl-4-(4-propan-2-ylphenyl)pyrazole;ethane;methane;1-methyl-5-(4-propan-2-ylphenyl)imidazole;bis(3-methyl-5-(4-propan-2-ylphenyl)-1,2,4-oxadiazole);1-methyl-4-(4-propan-2-ylphenyl)pyrazole;1-(4-propan-2-ylphenyl)triazole (CID 157208575) is 1,5-dimethyl-4-(4-propan-2-ylphenyl)pyrazole;ethane;methane;1-methyl-5-(4-propan-2-ylphenyl)imidazole;bis(3-methyl-5-(4-propan-2-ylphenyl)-1,2,4-oxadiazole);1-methyl-4-(4-propan-2-ylphenyl)pyrazole;1-(4-propan-2-ylphenyl)triazole.
What is the SMILES notation for 1,5-dimethyl-4-(4-propan-2-ylphenyl)pyrazole;ethane;methane;1-methyl-5-(4-propan-2-ylphenyl)imidazole;bis(3-methyl-5-(4-propan-2-ylphenyl)-1,2,4-oxadiazole);1-methyl-4-(4-propan-2-ylphenyl)pyrazole;1-(4-propan-2-ylphenyl)triazole?
The canonical SMILES for 1,5-dimethyl-4-(4-propan-2-ylphenyl)pyrazole;ethane;methane;1-methyl-5-(4-propan-2-ylphenyl)imidazole;bis(3-methyl-5-(4-propan-2-ylphenyl)-1,2,4-oxadiazole);1-methyl-4-(4-propan-2-ylphenyl)pyrazole;1-(4-propan-2-ylphenyl)triazole is C.C.CC.CC.CC.CC.CC.CC.CC(C)c1ccc(-c2cncn2C)cc1.CC(C)c1ccc(-c2cnn(C)c2)cc1.CC(C)c1ccc(-n2ccnn2)cc1.Cc1c(-c2ccc(C(C)C)cc2)cnn1C.Cc1noc(-c2ccc(C(C)C)cc2)n1.Cc1noc(-c2ccc(C(C)C)cc2)n1.
What is the InChIKey of 1,5-dimethyl-4-(4-propan-2-ylphenyl)pyrazole;ethane;methane;1-methyl-5-(4-propan-2-ylphenyl)imidazole;bis(3-methyl-5-(4-propan-2-ylphenyl)-1,2,4-oxadiazole);1-methyl-4-(4-propan-2-ylphenyl)pyrazole;1-(4-propan-2-ylphenyl)triazole?
The InChIKey is ARQAPOXBBQLWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2.2C13H16N2.2C12H14N2O.C11H13N3.6C2H6.2CH4/c1-10(2)12-5-7-13(8-6-12)14-9-15-16(4)11(14)3;1-10(2)11-4-6-12(7-5-11)13-8-14-9-15(13)3;1-10(2)11-4-6-12(7-5-11)13-8-14-15(3)9-13;2*1-8(2)10-4-6-11(7-5-10)12-13-9(3)14-15-12;1-9(2)10-3-5-11(6-4-10)14-8-7-12-13-14;6*1-2;;/h5-10H,1-4H3;2*4-10H,1-3H3;2*4-8H,1-3H3;3-9H,1-2H3;6*1-2H3;2*1H4.
What are the key properties of 1,5-dimethyl-4-(4-propan-2-ylphenyl)pyrazole;ethane;methane;1-methyl-5-(4-propan-2-ylphenyl)imidazole;bis(3-methyl-5-(4-propan-2-ylphenyl)-1,2,4-oxadiazole);1-methyl-4-(4-propan-2-ylphenyl)pyrazole;1-(4-propan-2-ylphenyl)triazole?
1,5-dimethyl-4-(4-propan-2-ylphenyl)pyrazole;ethane;methane;1-methyl-5-(4-propan-2-ylphenyl)imidazole;bis(3-methyl-5-(4-propan-2-ylphenyl)-1,2,4-oxadiazole);1-methyl-4-(4-propan-2-ylphenyl)pyrazole;1-(4-propan-2-ylphenyl)triazole has a molecular weight of 1419.15 g/mol, XLogP of 26.10, 12 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-4-(4-propan-2-ylphenyl)pyrazole;ethane;methane;1-methyl-5-(4-propan-2-ylphenyl)imidazole;bis(3-methyl-5-(4-propan-2-ylphenyl)-1,2,4-oxadiazole);1-methyl-4-(4-propan-2-ylphenyl)pyrazole;1-(4-propan-2-ylphenyl)triazole is sourced from PubChem (CID 157208575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).