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

C122H143N13O2 — CID 158047499

IUPAC1,5-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
SMILESCC(C)c1ccc(-c2ccccc2)cc1.CC(C)c1ccc(-c2cncn2C)cc1.CC(C)c1ccc(-c2cnn(C)c2)cc1.CC(C)c1ccc(-n2ccnn2)cc1.Cc1c(-c2ccc(C(C)C)cc2)cnn1C.Cc1cccc(-c2ccc(C(C)C)cc2)c1.Cc1ccccc1-c1ccc(C(C)C)cc1.Cc1noc(-c2ccc(C(C)C)cc2)n1.Cc1noc(-c2ccc(C(C)C)cc2)n1
InChIInChI=1S/2C16H18.C15H16.C14H18N2.2C13H16N2.2C12H14N2O.C11H13N3/c1-12(2)14-7-9-15(10-8-14)16-6-4-5-13(3)11-16;1-12(2)14-8-10-15(11-9-14)16-7-5-4-6-13(16)3;1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;1-10(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/h2*4-12H,1-3H3;3-12H,1-2H3;5-10H,1-4H3;2*4-10H,1-3H3;2*4-8H,1-3H3;3-9H,1-2H3
InChIKeyFJBXTXJOLYLHCH-UHFFFAOYSA-N
MW1823.57 g/mol
LogP32.72
Rot. Bonds18

About 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

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 (PubChem CID 158047499) has the molecular formula C122H143N13O2 and a molecular weight of 1823.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1,5-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
PubChem CID158047499
Molecular FormulaC122H143N13O2
Molecular Weight1823.57 g/mol
Exact Mass1822.15
IUPAC Name1,5-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
SMILESCC(C)c1ccc(-c2ccccc2)cc1.CC(C)c1ccc(-c2cncn2C)cc1.CC(C)c1ccc(-c2cnn(C)c2)cc1.CC(C)c1ccc(-n2ccnn2)cc1.Cc1c(-c2ccc(C(C)C)cc2)cnn1C.Cc1cccc(-c2ccc(C(C)C)cc2)c1.Cc1ccccc1-c1ccc(C(C)C)cc1.Cc1noc(-c2ccc(C(C)C)cc2)n1.Cc1noc(-c2ccc(C(C)C)cc2)n1
InChIInChI=1S/2C16H18.C15H16.C14H18N2.2C13H16N2.2C12H14N2O.C11H13N3/c1-12(2)14-7-9-15(10-8-14)16-6-4-5-13(3)11-16;1-12(2)14-8-10-15(11-9-14)16-7-5-4-6-13(16)3;1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;1-10(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/h2*4-12H,1-3H3;3-12H,1-2H3;5-10H,1-4H3;2*4-10H,1-3H3;2*4-8H,1-3H3;3-9H,1-2H3
InChIKeyFJBXTXJOLYLHCH-UHFFFAOYSA-N
XLogP32.72
TPSA162.01 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds18
Heavy Atoms137
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001823.57
LogP ≤ 532.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 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 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
4-[5-[5-[4-Phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]indazol-1-yl]butanoic acid;4-[5-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]indazol-2-yl]butanoic acid
CID 87238071
4-[5-[5-[4-Phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]indazol-1-yl]butanoyl 4-[5-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]indazol-2-yl]butanoate
CID 87238072
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
5-[4-Fluoro-2-(1-methylpyrazol-4-yl)phenyl]-3-[2-methyl-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-1,2,4-oxadiazole
CID 177181184
3-(3-methylimidazol-4-yl)-1-[1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-inden-5-yl]pyrazol-3-yl]propan-1-one
CID 58506158
N-[5-[4-[[1-[[3-[[5-(2,5-dimethylphenyl)-1-methylimidazol-2-yl]carbamoyl]phenyl]methyl]pyrazol-3-yl]methyl]-2,5-dimethylphenyl]-1-methylimidazol-2-yl]-3-(pyrrol-1-ylmethyl)benzamide
CID 154681684
3-[[1-[[2-ethyl-5-methyl-4-[3-methyl-2-[[3-(pyrazol-1-ylmethyl)benzoyl]amino]imidazol-4-yl]phenyl]methyl]pyrazol-4-yl]methyl]-N-[1-methyl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]benzamide
CID 154681706
3-[[4-[2,5-dimethyl-4-[3-methyl-2-[[4-(pyrazol-1-ylmethyl)benzoyl]amino]imidazol-4-yl]phenyl]pyrazol-1-yl]methyl]-N-[1-methyl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]benzamide
CID 155067658

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)c1ccc(-c2ccccc2)cc1.CC(C)c1ccc(-c2cncn2C)cc1.CC(C)c1ccc(-c2cnn(C)c2)cc1.CC(C)c1ccc(-n2ccnn2)cc1.Cc1c(-c2ccc(C(C)C)cc2)cnn1C.Cc1cccc(-c2ccc(C(C)C)cc2)c1.Cc1ccccc1-c1ccc(C(C)C)cc1.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;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?
The InChIKey is FJBXTXJOLYLHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H18.C15H16.C14H18N2.2C13H16N2.2C12H14N2O.C11H13N3/c1-12(2)14-7-9-15(10-8-14)16-6-4-5-13(3)11-16;1-12(2)14-8-10-15(11-9-14)16-7-5-4-6-13(16)3;1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;1-10(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/h2*4-12H,1-3H3;3-12H,1-2H3;5-10H,1-4H3;2*4-10H,1-3H3;2*4-8H,1-3H3;3-9H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1823.57 g/mol, XLogP of 32.72, 18 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;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 is sourced from PubChem (CID 158047499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).