1,3-dimethyl-4-propan-2-ylpyrazole;bis(2,5-dimethyl-3-propan-2-ylpyridine);2,6-dimethyl-4-propan-2-ylpyridine;ethane;bis(2-methoxy-5-methyl-3-propan-2-ylpyridine);1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;1-propan-2-ylazetidine;1-propan-2-ylcyclopenta-1,3-diene;3-propan-2-ylfuran;4-propan-2-ylmorpholine;propan-2-yloxybenzene;propan-2-yloxycyclopropane

C120H200N12O6 — CID 160866081

IUPAC1,3-dimethyl-4-propan-2-ylpyrazole;bis(2,5-dimethyl-3-propan-2-ylpyridine);2,6-dimethyl-4-propan-2-ylpyridine;ethane;bis(2-methoxy-5-methyl-3-propan-2-ylpyridine);1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;1-propan-2-ylazetidine;1-propan-2-ylcyclopenta-1,3-diene;3-propan-2-ylfuran;4-propan-2-ylmorpholine;propan-2-yloxybenzene;propan-2-yloxycyclopropane
SMILESCC.CC.CC(C)C1=CC=CC1.CC(C)N1CCC1.CC(C)N1CCOCC1.CC(C)OC1CC1.CC(C)Oc1ccccc1.CC(C)c1cccn1C.CC(C)c1ccnn1C.CC(C)c1ccoc1.COc1ncc(C)cc1C(C)C.COc1ncc(C)cc1C(C)C.Cc1cc(C(C)C)cc(C)n1.Cc1cnc(C)c(C(C)C)c1.Cc1cnc(C)c(C(C)C)c1.Cc1nn(C)cc1C(C)C
InChIInChI=1S/2C10H15NO.3C10H15N.C9H12O.C8H14N2.C8H13N.C8H12.C7H12N2.C7H15NO.C7H10O.C6H13N.C6H12O.2C2H6/c2*1-7(2)9-5-8(3)6-11-10(9)12-4;1-7(2)10-5-8(3)11-9(4)6-10;2*1-7(2)10-5-8(3)6-11-9(10)4;1-8(2)10-9-6-4-3-5-7-9;1-6(2)8-5-10(4)9-7(8)3;1-7(2)8-5-4-6-9(8)3;1-7(2)8-5-3-4-6-8;1-6(2)7-4-5-8-9(7)3;1-7(2)8-3-5-9-6-4-8;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-7;1-5(2)7-6-3-4-6;2*1-2/h2*5-7H,1-4H3;3*5-7H,1-4H3;3-8H,1-2H3;5-6H,1-4H3;4-7H,1-3H3;3-5,7H,6H2,1-2H3;4-6H,1-3H3;7H,3-6H2,1-2H3;3-6H,1-2H3;6H,3-5H2,1-2H3;5-6H,3-4H2,1-2H3;2*1-2H3
InChIKeySLDDJPHHVUUSJC-UHFFFAOYSA-N
MW1907.00 g/mol
LogP31.91
Rot. Bonds18

About 1,3-dimethyl-4-propan-2-ylpyrazole;bis(2,5-dimethyl-3-propan-2-ylpyridine);2,6-dimethyl-4-propan-2-ylpyridine;ethane;bis(2-methoxy-5-methyl-3-propan-2-ylpyridine);1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;1-propan-2-ylazetidine;1-propan-2-ylcyclopenta-1,3-diene;3-propan-2-ylfuran;4-propan-2-ylmorpholine;propan-2-yloxybenzene;propan-2-yloxycyclopropane

1,3-dimethyl-4-propan-2-ylpyrazole;bis(2,5-dimethyl-3-propan-2-ylpyridine);2,6-dimethyl-4-propan-2-ylpyridine;ethane;bis(2-methoxy-5-methyl-3-propan-2-ylpyridine);1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;1-propan-2-ylazetidine;1-propan-2-ylcyclopenta-1,3-diene;3-propan-2-ylfuran;4-propan-2-ylmorpholine;propan-2-yloxybenzene;propan-2-yloxycyclopropane (PubChem CID 160866081) has the molecular formula C120H200N12O6 and a molecular weight of 1907.00 g/mol. Its IUPAC name is 1,3-dimethyl-4-propan-2-ylpyrazole;bis(2,5-dimethyl-3-propan-2-ylpyridine);2,6-dimethyl-4-propan-2-ylpyridine;ethane;bis(2-methoxy-5-methyl-3-propan-2-ylpyridine);1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;1-propan-2-ylazetidine;1-propan-2-ylcyclopenta-1,3-diene;3-propan-2-ylfuran;4-propan-2-ylmorpholine;propan-2-yloxybenzene;propan-2-yloxycyclopropane.

Molecular Properties

Compound Name1,3-dimethyl-4-propan-2-ylpyrazole;bis(2,5-dimethyl-3-propan-2-ylpyridine);2,6-dimethyl-4-propan-2-ylpyridine;ethane;bis(2-methoxy-5-methyl-3-propan-2-ylpyridine);1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;1-propan-2-ylazetidine;1-propan-2-ylcyclopenta-1,3-diene;3-propan-2-ylfuran;4-propan-2-ylmorpholine;propan-2-yloxybenzene;propan-2-yloxycyclopropane
PubChem CID160866081
Molecular FormulaC120H200N12O6
Molecular Weight1907.00 g/mol
Exact Mass1905.57
IUPAC Name1,3-dimethyl-4-propan-2-ylpyrazole;bis(2,5-dimethyl-3-propan-2-ylpyridine);2,6-dimethyl-4-propan-2-ylpyridine;ethane;bis(2-methoxy-5-methyl-3-propan-2-ylpyridine);1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;1-propan-2-ylazetidine;1-propan-2-ylcyclopenta-1,3-diene;3-propan-2-ylfuran;4-propan-2-ylmorpholine;propan-2-yloxybenzene;propan-2-yloxycyclopropane
SMILESCC.CC.CC(C)C1=CC=CC1.CC(C)N1CCC1.CC(C)N1CCOCC1.CC(C)OC1CC1.CC(C)Oc1ccccc1.CC(C)c1cccn1C.CC(C)c1ccnn1C.CC(C)c1ccoc1.COc1ncc(C)cc1C(C)C.COc1ncc(C)cc1C(C)C.Cc1cc(C(C)C)cc(C)n1.Cc1cnc(C)c(C(C)C)c1.Cc1cnc(C)c(C(C)C)c1.Cc1nn(C)cc1C(C)C
InChIInChI=1S/2C10H15NO.3C10H15N.C9H12O.C8H14N2.C8H13N.C8H12.C7H12N2.C7H15NO.C7H10O.C6H13N.C6H12O.2C2H6/c2*1-7(2)9-5-8(3)6-11-10(9)12-4;1-7(2)10-5-8(3)11-9(4)6-10;2*1-7(2)10-5-8(3)6-11-9(10)4;1-8(2)10-9-6-4-3-5-7-9;1-6(2)8-5-10(4)9-7(8)3;1-7(2)8-5-4-6-9(8)3;1-7(2)8-5-3-4-6-8;1-6(2)7-4-5-8-9(7)3;1-7(2)8-3-5-9-6-4-8;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-7;1-5(2)7-6-3-4-6;2*1-2/h2*5-7H,1-4H3;3*5-7H,1-4H3;3-8H,1-2H3;5-6H,1-4H3;4-7H,1-3H3;3-5,7H,6H2,1-2H3;4-6H,1-3H3;7H,3-6H2,1-2H3;3-6H,1-2H3;6H,3-5H2,1-2H3;5-6H,3-4H2,1-2H3;2*1-2H3
InChIKeySLDDJPHHVUUSJC-UHFFFAOYSA-N
XLogP31.91
TPSA170.79 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds18
Heavy Atoms138
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001907.00
LogP ≤ 531.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 1,3-dimethyl-4-propan-2-ylpyrazole;bis(2,5-dimethyl-3-propan-2-ylpyridine);2,6-dimethyl-4-propan-2-ylpyridine;ethane;bis(2-methoxy-5-methyl-3-propan-2-ylpyridine);1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;1-propan-2-ylazetidine;1-propan-2-ylcyclopenta-1,3-diene;3-propan-2-ylfuran;4-propan-2-ylmorpholine;propan-2-yloxybenzene;propan-2-yloxycyclopropane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-propan-2-ylpyrazole;bis(2,5-dimethyl-3-propan-2-ylpyridine);2,6-dimethyl-4-propan-2-ylpyridine;ethane;bis(2-methoxy-5-methyl-3-propan-2-ylpyridine);1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;1-propan-2-ylazetidine;1-propan-2-ylcyclopenta-1,3-diene;3-propan-2-ylfuran;4-propan-2-ylmorpholine;propan-2-yloxybenzene;propan-2-yloxycyclopropane?
The IUPAC name of 1,3-dimethyl-4-propan-2-ylpyrazole;bis(2,5-dimethyl-3-propan-2-ylpyridine);2,6-dimethyl-4-propan-2-ylpyridine;ethane;bis(2-methoxy-5-methyl-3-propan-2-ylpyridine);1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;1-propan-2-ylazetidine;1-propan-2-ylcyclopenta-1,3-diene;3-propan-2-ylfuran;4-propan-2-ylmorpholine;propan-2-yloxybenzene;propan-2-yloxycyclopropane (CID 160866081) is 1,3-dimethyl-4-propan-2-ylpyrazole;bis(2,5-dimethyl-3-propan-2-ylpyridine);2,6-dimethyl-4-propan-2-ylpyridine;ethane;bis(2-methoxy-5-methyl-3-propan-2-ylpyridine);1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;1-propan-2-ylazetidine;1-propan-2-ylcyclopenta-1,3-diene;3-propan-2-ylfuran;4-propan-2-ylmorpholine;propan-2-yloxybenzene;propan-2-yloxycyclopropane.
What is the SMILES notation for 1,3-dimethyl-4-propan-2-ylpyrazole;bis(2,5-dimethyl-3-propan-2-ylpyridine);2,6-dimethyl-4-propan-2-ylpyridine;ethane;bis(2-methoxy-5-methyl-3-propan-2-ylpyridine);1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;1-propan-2-ylazetidine;1-propan-2-ylcyclopenta-1,3-diene;3-propan-2-ylfuran;4-propan-2-ylmorpholine;propan-2-yloxybenzene;propan-2-yloxycyclopropane?
The canonical SMILES for 1,3-dimethyl-4-propan-2-ylpyrazole;bis(2,5-dimethyl-3-propan-2-ylpyridine);2,6-dimethyl-4-propan-2-ylpyridine;ethane;bis(2-methoxy-5-methyl-3-propan-2-ylpyridine);1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;1-propan-2-ylazetidine;1-propan-2-ylcyclopenta-1,3-diene;3-propan-2-ylfuran;4-propan-2-ylmorpholine;propan-2-yloxybenzene;propan-2-yloxycyclopropane is CC.CC.CC(C)C1=CC=CC1.CC(C)N1CCC1.CC(C)N1CCOCC1.CC(C)OC1CC1.CC(C)Oc1ccccc1.CC(C)c1cccn1C.CC(C)c1ccnn1C.CC(C)c1ccoc1.COc1ncc(C)cc1C(C)C.COc1ncc(C)cc1C(C)C.Cc1cc(C(C)C)cc(C)n1.Cc1cnc(C)c(C(C)C)c1.Cc1cnc(C)c(C(C)C)c1.Cc1nn(C)cc1C(C)C.
What is the InChIKey of 1,3-dimethyl-4-propan-2-ylpyrazole;bis(2,5-dimethyl-3-propan-2-ylpyridine);2,6-dimethyl-4-propan-2-ylpyridine;ethane;bis(2-methoxy-5-methyl-3-propan-2-ylpyridine);1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;1-propan-2-ylazetidine;1-propan-2-ylcyclopenta-1,3-diene;3-propan-2-ylfuran;4-propan-2-ylmorpholine;propan-2-yloxybenzene;propan-2-yloxycyclopropane?
The InChIKey is SLDDJPHHVUUSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H15NO.3C10H15N.C9H12O.C8H14N2.C8H13N.C8H12.C7H12N2.C7H15NO.C7H10O.C6H13N.C6H12O.2C2H6/c2*1-7(2)9-5-8(3)6-11-10(9)12-4;1-7(2)10-5-8(3)11-9(4)6-10;2*1-7(2)10-5-8(3)6-11-9(10)4;1-8(2)10-9-6-4-3-5-7-9;1-6(2)8-5-10(4)9-7(8)3;1-7(2)8-5-4-6-9(8)3;1-7(2)8-5-3-4-6-8;1-6(2)7-4-5-8-9(7)3;1-7(2)8-3-5-9-6-4-8;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-7;1-5(2)7-6-3-4-6;2*1-2/h2*5-7H,1-4H3;3*5-7H,1-4H3;3-8H,1-2H3;5-6H,1-4H3;4-7H,1-3H3;3-5,7H,6H2,1-2H3;4-6H,1-3H3;7H,3-6H2,1-2H3;3-6H,1-2H3;6H,3-5H2,1-2H3;5-6H,3-4H2,1-2H3;2*1-2H3.
What are the key properties of 1,3-dimethyl-4-propan-2-ylpyrazole;bis(2,5-dimethyl-3-propan-2-ylpyridine);2,6-dimethyl-4-propan-2-ylpyridine;ethane;bis(2-methoxy-5-methyl-3-propan-2-ylpyridine);1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;1-propan-2-ylazetidine;1-propan-2-ylcyclopenta-1,3-diene;3-propan-2-ylfuran;4-propan-2-ylmorpholine;propan-2-yloxybenzene;propan-2-yloxycyclopropane?
1,3-dimethyl-4-propan-2-ylpyrazole;bis(2,5-dimethyl-3-propan-2-ylpyridine);2,6-dimethyl-4-propan-2-ylpyridine;ethane;bis(2-methoxy-5-methyl-3-propan-2-ylpyridine);1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;1-propan-2-ylazetidine;1-propan-2-ylcyclopenta-1,3-diene;3-propan-2-ylfuran;4-propan-2-ylmorpholine;propan-2-yloxybenzene;propan-2-yloxycyclopropane has a molecular weight of 1907.00 g/mol, XLogP of 31.91, 18 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-propan-2-ylpyrazole;bis(2,5-dimethyl-3-propan-2-ylpyridine);2,6-dimethyl-4-propan-2-ylpyridine;ethane;bis(2-methoxy-5-methyl-3-propan-2-ylpyridine);1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;1-propan-2-ylazetidine;1-propan-2-ylcyclopenta-1,3-diene;3-propan-2-ylfuran;4-propan-2-ylmorpholine;propan-2-yloxybenzene;propan-2-yloxycyclopropane is sourced from PubChem (CID 160866081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).