1,5-dimethyl-2,3-di(propan-2-yl)pyrrole;1,2-di(propan-2-yl)benzene;4,5-di(propan-2-yl)-2H-imidazole;2,3-di(propan-2-yl)pyrazine;2,3-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;bis(1,2-di(propan-2-yl)-4-(trifluoromethyl)benzene);bis(4-fluoro-1,2-di(propan-2-yl)benzene);methane;4-methoxy-1,2-di(propan-2-yl)benzene;bis(4-methyl-1,2-di(propan-2-yl)benzene);5-methyl-2,3-di(propan-2-yl)pyrazine;1-methyl-4,5-di(propan-2-yl)pyrazole

C175H272F8N12O — CID 162173197

IUPAC1,5-dimethyl-2,3-di(propan-2-yl)pyrrole;1,2-di(propan-2-yl)benzene;4,5-di(propan-2-yl)-2H-imidazole;2,3-di(propan-2-yl)pyrazine;2,3-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;bis(1,2-di(propan-2-yl)-4-(trifluoromethyl)benzene);bis(4-fluoro-1,2-di(propan-2-yl)benzene);methane;4-methoxy-1,2-di(propan-2-yl)benzene;bis(4-methyl-1,2-di(propan-2-yl)benzene);5-methyl-2,3-di(propan-2-yl)pyrazine;1-methyl-4,5-di(propan-2-yl)pyrazole
SMILESC.CC(C)C1=NCN=C1C(C)C.CC(C)c1ccc(C(F)(F)F)cc1C(C)C.CC(C)c1ccc(C(F)(F)F)cc1C(C)C.CC(C)c1ccc(F)cc1C(C)C.CC(C)c1ccc(F)cc1C(C)C.CC(C)c1ccccc1C(C)C.CC(C)c1cccnc1C(C)C.CC(C)c1cncnc1C(C)C.CC(C)c1cnn(C)c1C(C)C.CC(C)c1nccnc1C(C)C.COc1ccc(C(C)C)c(C(C)C)c1.Cc1cc(C(C)C)c(C(C)C)n1C.Cc1ccc(C(C)C)c(C(C)C)c1.Cc1ccc(C(C)C)c(C(C)C)c1.Cc1cnc(C(C)C)c(C(C)C)n1
InChIInChI=1S/2C13H17F3.C13H20O.2C13H20.2C12H17F.C12H21N.C12H18.C11H18N2.C11H17N.C10H18N2.2C10H16N2.C9H16N2.CH4/c2*1-8(2)11-6-5-10(13(14,15)16)7-12(11)9(3)4;1-9(2)12-7-6-11(14-5)8-13(12)10(3)4;2*1-9(2)12-7-6-11(5)8-13(12)10(3)4;2*1-8(2)11-6-5-10(13)7-12(11)9(3)4;1-8(2)11-7-10(5)13(6)12(11)9(3)4;1-9(2)11-7-5-6-8-12(11)10(3)4;1-7(2)10-11(8(3)4)13-9(5)6-12-10;1-8(2)10-6-5-7-12-11(10)9(3)4;1-7(2)9-6-11-12(5)10(9)8(3)4;1-7(2)9-5-11-6-12-10(9)8(3)4;1-7(2)9-10(8(3)4)12-6-5-11-9;1-6(2)8-9(7(3)4)11-5-10-8;/h2*5-9H,1-4H3;6-10H,1-5H3;2*6-10H,1-5H3;2*5-9H,1-4H3;7-9H,1-6H3;5-10H,1-4H3;6-8H,1-5H3;5-9H,1-4H3;6-8H,1-5H3;2*5-8H,1-4H3;6-7H,5H2,1-4H3;1H4
InChIKeyZOBDNDAIYPPTAT-UHFFFAOYSA-N
MW2712.17 g/mol
LogP55.25
Rot. Bonds31

About 1,5-dimethyl-2,3-di(propan-2-yl)pyrrole;1,2-di(propan-2-yl)benzene;4,5-di(propan-2-yl)-2H-imidazole;2,3-di(propan-2-yl)pyrazine;2,3-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;bis(1,2-di(propan-2-yl)-4-(trifluoromethyl)benzene);bis(4-fluoro-1,2-di(propan-2-yl)benzene);methane;4-methoxy-1,2-di(propan-2-yl)benzene;bis(4-methyl-1,2-di(propan-2-yl)benzene);5-methyl-2,3-di(propan-2-yl)pyrazine;1-methyl-4,5-di(propan-2-yl)pyrazole

1,5-dimethyl-2,3-di(propan-2-yl)pyrrole;1,2-di(propan-2-yl)benzene;4,5-di(propan-2-yl)-2H-imidazole;2,3-di(propan-2-yl)pyrazine;2,3-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;bis(1,2-di(propan-2-yl)-4-(trifluoromethyl)benzene);bis(4-fluoro-1,2-di(propan-2-yl)benzene);methane;4-methoxy-1,2-di(propan-2-yl)benzene;bis(4-methyl-1,2-di(propan-2-yl)benzene);5-methyl-2,3-di(propan-2-yl)pyrazine;1-methyl-4,5-di(propan-2-yl)pyrazole (PubChem CID 162173197) has the molecular formula C175H272F8N12O and a molecular weight of 2712.17 g/mol. Its IUPAC name is 1,5-dimethyl-2,3-di(propan-2-yl)pyrrole;1,2-di(propan-2-yl)benzene;4,5-di(propan-2-yl)-2H-imidazole;2,3-di(propan-2-yl)pyrazine;2,3-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;bis(1,2-di(propan-2-yl)-4-(trifluoromethyl)benzene);bis(4-fluoro-1,2-di(propan-2-yl)benzene);methane;4-methoxy-1,2-di(propan-2-yl)benzene;bis(4-methyl-1,2-di(propan-2-yl)benzene);5-methyl-2,3-di(propan-2-yl)pyrazine;1-methyl-4,5-di(propan-2-yl)pyrazole.

Molecular Properties

Compound Name1,5-dimethyl-2,3-di(propan-2-yl)pyrrole;1,2-di(propan-2-yl)benzene;4,5-di(propan-2-yl)-2H-imidazole;2,3-di(propan-2-yl)pyrazine;2,3-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;bis(1,2-di(propan-2-yl)-4-(trifluoromethyl)benzene);bis(4-fluoro-1,2-di(propan-2-yl)benzene);methane;4-methoxy-1,2-di(propan-2-yl)benzene;bis(4-methyl-1,2-di(propan-2-yl)benzene);5-methyl-2,3-di(propan-2-yl)pyrazine;1-methyl-4,5-di(propan-2-yl)pyrazole
PubChem CID162173197
Molecular FormulaC175H272F8N12O
Molecular Weight2712.17 g/mol
Exact Mass2710.15
IUPAC Name1,5-dimethyl-2,3-di(propan-2-yl)pyrrole;1,2-di(propan-2-yl)benzene;4,5-di(propan-2-yl)-2H-imidazole;2,3-di(propan-2-yl)pyrazine;2,3-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;bis(1,2-di(propan-2-yl)-4-(trifluoromethyl)benzene);bis(4-fluoro-1,2-di(propan-2-yl)benzene);methane;4-methoxy-1,2-di(propan-2-yl)benzene;bis(4-methyl-1,2-di(propan-2-yl)benzene);5-methyl-2,3-di(propan-2-yl)pyrazine;1-methyl-4,5-di(propan-2-yl)pyrazole
SMILESC.CC(C)C1=NCN=C1C(C)C.CC(C)c1ccc(C(F)(F)F)cc1C(C)C.CC(C)c1ccc(C(F)(F)F)cc1C(C)C.CC(C)c1ccc(F)cc1C(C)C.CC(C)c1ccc(F)cc1C(C)C.CC(C)c1ccccc1C(C)C.CC(C)c1cccnc1C(C)C.CC(C)c1cncnc1C(C)C.CC(C)c1cnn(C)c1C(C)C.CC(C)c1nccnc1C(C)C.COc1ccc(C(C)C)c(C(C)C)c1.Cc1cc(C(C)C)c(C(C)C)n1C.Cc1ccc(C(C)C)c(C(C)C)c1.Cc1ccc(C(C)C)c(C(C)C)c1.Cc1cnc(C(C)C)c(C(C)C)n1
InChIInChI=1S/2C13H17F3.C13H20O.2C13H20.2C12H17F.C12H21N.C12H18.C11H18N2.C11H17N.C10H18N2.2C10H16N2.C9H16N2.CH4/c2*1-8(2)11-6-5-10(13(14,15)16)7-12(11)9(3)4;1-9(2)12-7-6-11(14-5)8-13(12)10(3)4;2*1-9(2)12-7-6-11(5)8-13(12)10(3)4;2*1-8(2)11-6-5-10(13)7-12(11)9(3)4;1-8(2)11-7-10(5)13(6)12(11)9(3)4;1-9(2)11-7-5-6-8-12(11)10(3)4;1-7(2)10-11(8(3)4)13-9(5)6-12-10;1-8(2)10-6-5-7-12-11(10)9(3)4;1-7(2)9-6-11-12(5)10(9)8(3)4;1-7(2)9-5-11-6-12-10(9)8(3)4;1-7(2)9-10(8(3)4)12-6-5-11-9;1-6(2)8-9(7(3)4)11-5-10-8;/h2*5-9H,1-4H3;6-10H,1-5H3;2*6-10H,1-5H3;2*5-9H,1-4H3;7-9H,1-6H3;5-10H,1-4H3;6-8H,1-5H3;5-9H,1-4H3;6-8H,1-5H3;2*5-8H,1-4H3;6-7H,5H2,1-4H3;1H4
InChIKeyZOBDNDAIYPPTAT-UHFFFAOYSA-N
XLogP55.25
TPSA146.93 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds31
Heavy Atoms196
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002712.17
LogP ≤ 555.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 1,5-dimethyl-2,3-di(propan-2-yl)pyrrole;1,2-di(propan-2-yl)benzene;4,5-di(propan-2-yl)-2H-imidazole;2,3-di(propan-2-yl)pyrazine;2,3-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;bis(1,2-di(propan-2-yl)-4-(trifluoromethyl)benzene);bis(4-fluoro-1,2-di(propan-2-yl)benzene);methane;4-methoxy-1,2-di(propan-2-yl)benzene;bis(4-methyl-1,2-di(propan-2-yl)benzene);5-methyl-2,3-di(propan-2-yl)pyrazine;1-methyl-4,5-di(propan-2-yl)pyrazole with MolForge

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Related Compounds

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CID 121454379
2-[1-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]imidazol-4-yl]-4-[5-(trifluoromethyl)-2H-triazol-4-yl]pyridine
CID 121454383
3-(3-Fluoro-4-methoxyphenyl)-6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridine
CID 22031609
6-[3-(4-Fluorophenyl)-1-tritylpyrazol-4-yl]-3-(4-methoxyphenyl)-7-methylimidazo[1,2-a]pyridine
CID 23537393
2-(2,3-Difluoro-phenyl)-5-[6-(4-methoxy-2-trifluoromethyl-phenyl)-2-methyl-pyridin-3-ylmethyl]-5H-imidazo[4,5-d]pyridazine
CID 44216906
2-(2-Fluorophenyl)-5-[[6-[4-methoxy-2-(trifluoromethyl)phenyl]pyridin-3-yl]methyl]imidazo[4,5-d]pyridazine
CID 44216957
2-(2,3-Difluoro-phenyl)-5-[6-(4-methoxy-2-trifluoromethyl-phenyl)-pyridin-3-ylmethyl]-5H-imidazo[4,5-d]pyridazine
CID 44217257
2-(2,3-Difluoro-phenyl)-5-[6-(4-methoxy-2-trifluoromethyl-phenyl)-pyridazin-3-ylmethyl]-5H-imidazo[4,5-d]pyridazine
CID 44217421
2-(2,3-Difluoro-phenyl)-5-(4'-methoxy-2'-trifluoromethyl-biphenyl-4-ylmethyl)-5H-imidazo[4,5-d]pyridazine
CID 44217424
2-(2,3-Difluoro-phenyl)-5-[5-(4-methoxy-2-trifluoromethyl-phenyl)-pyridin-2-ylmethyl]-5H-imidazo[4,5-d]pyridazine
CID 44217577
5-[[2,6-Bis[4-methoxy-2-(trifluoromethyl)phenyl]pyridin-3-yl]methyl]-2-(2,3-difluorophenyl)imidazo[4,5-d]pyridazine
CID 44218048
2-(2,3-Difluoro-phenyl)-5-(3-fluoro-4'-methoxy-2'-trifluoromethyl-biphenyl-4-ylmethyl)-5H-imidazo[4,5-d]pyridazine
CID 44218050

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-2,3-di(propan-2-yl)pyrrole;1,2-di(propan-2-yl)benzene;4,5-di(propan-2-yl)-2H-imidazole;2,3-di(propan-2-yl)pyrazine;2,3-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;bis(1,2-di(propan-2-yl)-4-(trifluoromethyl)benzene);bis(4-fluoro-1,2-di(propan-2-yl)benzene);methane;4-methoxy-1,2-di(propan-2-yl)benzene;bis(4-methyl-1,2-di(propan-2-yl)benzene);5-methyl-2,3-di(propan-2-yl)pyrazine;1-methyl-4,5-di(propan-2-yl)pyrazole?
The IUPAC name of 1,5-dimethyl-2,3-di(propan-2-yl)pyrrole;1,2-di(propan-2-yl)benzene;4,5-di(propan-2-yl)-2H-imidazole;2,3-di(propan-2-yl)pyrazine;2,3-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;bis(1,2-di(propan-2-yl)-4-(trifluoromethyl)benzene);bis(4-fluoro-1,2-di(propan-2-yl)benzene);methane;4-methoxy-1,2-di(propan-2-yl)benzene;bis(4-methyl-1,2-di(propan-2-yl)benzene);5-methyl-2,3-di(propan-2-yl)pyrazine;1-methyl-4,5-di(propan-2-yl)pyrazole (CID 162173197) is 1,5-dimethyl-2,3-di(propan-2-yl)pyrrole;1,2-di(propan-2-yl)benzene;4,5-di(propan-2-yl)-2H-imidazole;2,3-di(propan-2-yl)pyrazine;2,3-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;bis(1,2-di(propan-2-yl)-4-(trifluoromethyl)benzene);bis(4-fluoro-1,2-di(propan-2-yl)benzene);methane;4-methoxy-1,2-di(propan-2-yl)benzene;bis(4-methyl-1,2-di(propan-2-yl)benzene);5-methyl-2,3-di(propan-2-yl)pyrazine;1-methyl-4,5-di(propan-2-yl)pyrazole.
What is the SMILES notation for 1,5-dimethyl-2,3-di(propan-2-yl)pyrrole;1,2-di(propan-2-yl)benzene;4,5-di(propan-2-yl)-2H-imidazole;2,3-di(propan-2-yl)pyrazine;2,3-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;bis(1,2-di(propan-2-yl)-4-(trifluoromethyl)benzene);bis(4-fluoro-1,2-di(propan-2-yl)benzene);methane;4-methoxy-1,2-di(propan-2-yl)benzene;bis(4-methyl-1,2-di(propan-2-yl)benzene);5-methyl-2,3-di(propan-2-yl)pyrazine;1-methyl-4,5-di(propan-2-yl)pyrazole?
The canonical SMILES for 1,5-dimethyl-2,3-di(propan-2-yl)pyrrole;1,2-di(propan-2-yl)benzene;4,5-di(propan-2-yl)-2H-imidazole;2,3-di(propan-2-yl)pyrazine;2,3-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;bis(1,2-di(propan-2-yl)-4-(trifluoromethyl)benzene);bis(4-fluoro-1,2-di(propan-2-yl)benzene);methane;4-methoxy-1,2-di(propan-2-yl)benzene;bis(4-methyl-1,2-di(propan-2-yl)benzene);5-methyl-2,3-di(propan-2-yl)pyrazine;1-methyl-4,5-di(propan-2-yl)pyrazole is C.CC(C)C1=NCN=C1C(C)C.CC(C)c1ccc(C(F)(F)F)cc1C(C)C.CC(C)c1ccc(C(F)(F)F)cc1C(C)C.CC(C)c1ccc(F)cc1C(C)C.CC(C)c1ccc(F)cc1C(C)C.CC(C)c1ccccc1C(C)C.CC(C)c1cccnc1C(C)C.CC(C)c1cncnc1C(C)C.CC(C)c1cnn(C)c1C(C)C.CC(C)c1nccnc1C(C)C.COc1ccc(C(C)C)c(C(C)C)c1.Cc1cc(C(C)C)c(C(C)C)n1C.Cc1ccc(C(C)C)c(C(C)C)c1.Cc1ccc(C(C)C)c(C(C)C)c1.Cc1cnc(C(C)C)c(C(C)C)n1.
What is the InChIKey of 1,5-dimethyl-2,3-di(propan-2-yl)pyrrole;1,2-di(propan-2-yl)benzene;4,5-di(propan-2-yl)-2H-imidazole;2,3-di(propan-2-yl)pyrazine;2,3-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;bis(1,2-di(propan-2-yl)-4-(trifluoromethyl)benzene);bis(4-fluoro-1,2-di(propan-2-yl)benzene);methane;4-methoxy-1,2-di(propan-2-yl)benzene;bis(4-methyl-1,2-di(propan-2-yl)benzene);5-methyl-2,3-di(propan-2-yl)pyrazine;1-methyl-4,5-di(propan-2-yl)pyrazole?
The InChIKey is ZOBDNDAIYPPTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H17F3.C13H20O.2C13H20.2C12H17F.C12H21N.C12H18.C11H18N2.C11H17N.C10H18N2.2C10H16N2.C9H16N2.CH4/c2*1-8(2)11-6-5-10(13(14,15)16)7-12(11)9(3)4;1-9(2)12-7-6-11(14-5)8-13(12)10(3)4;2*1-9(2)12-7-6-11(5)8-13(12)10(3)4;2*1-8(2)11-6-5-10(13)7-12(11)9(3)4;1-8(2)11-7-10(5)13(6)12(11)9(3)4;1-9(2)11-7-5-6-8-12(11)10(3)4;1-7(2)10-11(8(3)4)13-9(5)6-12-10;1-8(2)10-6-5-7-12-11(10)9(3)4;1-7(2)9-6-11-12(5)10(9)8(3)4;1-7(2)9-5-11-6-12-10(9)8(3)4;1-7(2)9-10(8(3)4)12-6-5-11-9;1-6(2)8-9(7(3)4)11-5-10-8;/h2*5-9H,1-4H3;6-10H,1-5H3;2*6-10H,1-5H3;2*5-9H,1-4H3;7-9H,1-6H3;5-10H,1-4H3;6-8H,1-5H3;5-9H,1-4H3;6-8H,1-5H3;2*5-8H,1-4H3;6-7H,5H2,1-4H3;1H4.
What are the key properties of 1,5-dimethyl-2,3-di(propan-2-yl)pyrrole;1,2-di(propan-2-yl)benzene;4,5-di(propan-2-yl)-2H-imidazole;2,3-di(propan-2-yl)pyrazine;2,3-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;bis(1,2-di(propan-2-yl)-4-(trifluoromethyl)benzene);bis(4-fluoro-1,2-di(propan-2-yl)benzene);methane;4-methoxy-1,2-di(propan-2-yl)benzene;bis(4-methyl-1,2-di(propan-2-yl)benzene);5-methyl-2,3-di(propan-2-yl)pyrazine;1-methyl-4,5-di(propan-2-yl)pyrazole?
1,5-dimethyl-2,3-di(propan-2-yl)pyrrole;1,2-di(propan-2-yl)benzene;4,5-di(propan-2-yl)-2H-imidazole;2,3-di(propan-2-yl)pyrazine;2,3-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;bis(1,2-di(propan-2-yl)-4-(trifluoromethyl)benzene);bis(4-fluoro-1,2-di(propan-2-yl)benzene);methane;4-methoxy-1,2-di(propan-2-yl)benzene;bis(4-methyl-1,2-di(propan-2-yl)benzene);5-methyl-2,3-di(propan-2-yl)pyrazine;1-methyl-4,5-di(propan-2-yl)pyrazole has a molecular weight of 2712.17 g/mol, XLogP of 55.25, 31 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-2,3-di(propan-2-yl)pyrrole;1,2-di(propan-2-yl)benzene;4,5-di(propan-2-yl)-2H-imidazole;2,3-di(propan-2-yl)pyrazine;2,3-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;bis(1,2-di(propan-2-yl)-4-(trifluoromethyl)benzene);bis(4-fluoro-1,2-di(propan-2-yl)benzene);methane;4-methoxy-1,2-di(propan-2-yl)benzene;bis(4-methyl-1,2-di(propan-2-yl)benzene);5-methyl-2,3-di(propan-2-yl)pyrazine;1-methyl-4,5-di(propan-2-yl)pyrazole is sourced from PubChem (CID 162173197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).