1,3-dimethyl-4-propan-2-ylpyrazole;2,6-dimethyl-3-propan-2-ylpyridine;ethane;1-methyl-5-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyridine;tris(3-methyl-4-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;1-propan-2-ylazetidine;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-ylmorpholine;propan-2-yloxybenzene;propan-2-yloxycyclopropane;3-propan-2-ylpyridine;5-propan-2-yl-1H-pyridin-2-one

C141H225N15O6 — CID 161304255

IUPAC1,3-dimethyl-4-propan-2-ylpyrazole;2,6-dimethyl-3-propan-2-ylpyridine;ethane;1-methyl-5-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyridine;tris(3-methyl-4-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;1-propan-2-ylazetidine;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-ylmorpholine;propan-2-yloxybenzene;propan-2-yloxycyclopropane;3-propan-2-ylpyridine;5-propan-2-yl-1H-pyridin-2-one
SMILESCC.CC.CC(C)N1CCC1.CC(C)N1CCOCC1.CC(C)OC1CC1.CC(C)Oc1ccccc1.CC(C)c1ccc(=O)[nH]c1.CC(C)c1cccnc1.CC(C)c1ccco1.CC(C)c1ccnn1C.CC(C)c1ccoc1.Cc1cc(C(C)C)ccn1.Cc1ccc(C(C)C)c(C)n1.Cc1cncc(C(C)C)c1.Cc1cnccc1C(C)C.Cc1cnccc1C(C)C.Cc1cnccc1C(C)C.Cc1ncccc1C(C)C.Cc1nn(C)cc1C(C)C
InChIInChI=1S/C10H15N.6C9H13N.C9H12O.C8H14N2.C8H11NO.C8H11N.C7H12N2.C7H15NO.2C7H10O.C6H13N.C6H12O.2C2H6/c1-7(2)10-6-5-8(3)11-9(10)4;1-7(2)9-4-8(3)5-10-6-9;3*1-7(2)9-4-5-10-6-8(9)3;1-7(2)9-4-5-10-8(3)6-9;1-7(2)9-5-4-6-10-8(9)3;1-8(2)10-9-6-4-3-5-7-9;1-6(2)8-5-10(4)9-7(8)3;1-6(2)7-3-4-8(10)9-5-7;1-7(2)8-4-3-5-9-6-8;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)7-4-3-5-8-7;1-6(2)7-4-3-5-7;1-5(2)7-6-3-4-6;2*1-2/h5-7H,1-4H3;6*4-7H,1-3H3;3-8H,1-2H3;5-6H,1-4H3;3-6H,1-2H3,(H,9,10);3-7H,1-2H3;4-6H,1-3H3;7H,3-6H2,1-2H3;2*3-6H,1-2H3;6H,3-5H2,1-2H3;5-6H,3-4H2,1-2H3;2*1-2H3
InChIKeyVIANZRFTABXFTO-UHFFFAOYSA-N
MW2226.45 g/mol
LogP37.73
Rot. Bonds19

About 1,3-dimethyl-4-propan-2-ylpyrazole;2,6-dimethyl-3-propan-2-ylpyridine;ethane;1-methyl-5-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyridine;tris(3-methyl-4-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;1-propan-2-ylazetidine;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-ylmorpholine;propan-2-yloxybenzene;propan-2-yloxycyclopropane;3-propan-2-ylpyridine;5-propan-2-yl-1H-pyridin-2-one

1,3-dimethyl-4-propan-2-ylpyrazole;2,6-dimethyl-3-propan-2-ylpyridine;ethane;1-methyl-5-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyridine;tris(3-methyl-4-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;1-propan-2-ylazetidine;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-ylmorpholine;propan-2-yloxybenzene;propan-2-yloxycyclopropane;3-propan-2-ylpyridine;5-propan-2-yl-1H-pyridin-2-one (PubChem CID 161304255) has the molecular formula C141H225N15O6 and a molecular weight of 2226.45 g/mol. Its IUPAC name is 1,3-dimethyl-4-propan-2-ylpyrazole;2,6-dimethyl-3-propan-2-ylpyridine;ethane;1-methyl-5-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyridine;tris(3-methyl-4-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;1-propan-2-ylazetidine;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-ylmorpholine;propan-2-yloxybenzene;propan-2-yloxycyclopropane;3-propan-2-ylpyridine;5-propan-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name1,3-dimethyl-4-propan-2-ylpyrazole;2,6-dimethyl-3-propan-2-ylpyridine;ethane;1-methyl-5-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyridine;tris(3-methyl-4-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;1-propan-2-ylazetidine;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-ylmorpholine;propan-2-yloxybenzene;propan-2-yloxycyclopropane;3-propan-2-ylpyridine;5-propan-2-yl-1H-pyridin-2-one
PubChem CID161304255
Molecular FormulaC141H225N15O6
Molecular Weight2226.45 g/mol
Exact Mass2224.78
IUPAC Name1,3-dimethyl-4-propan-2-ylpyrazole;2,6-dimethyl-3-propan-2-ylpyridine;ethane;1-methyl-5-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyridine;tris(3-methyl-4-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;1-propan-2-ylazetidine;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-ylmorpholine;propan-2-yloxybenzene;propan-2-yloxycyclopropane;3-propan-2-ylpyridine;5-propan-2-yl-1H-pyridin-2-one
SMILESCC.CC.CC(C)N1CCC1.CC(C)N1CCOCC1.CC(C)OC1CC1.CC(C)Oc1ccccc1.CC(C)c1ccc(=O)[nH]c1.CC(C)c1cccnc1.CC(C)c1ccco1.CC(C)c1ccnn1C.CC(C)c1ccoc1.Cc1cc(C(C)C)ccn1.Cc1ccc(C(C)C)c(C)n1.Cc1cncc(C(C)C)c1.Cc1cnccc1C(C)C.Cc1cnccc1C(C)C.Cc1cnccc1C(C)C.Cc1ncccc1C(C)C.Cc1nn(C)cc1C(C)C
InChIInChI=1S/C10H15N.6C9H13N.C9H12O.C8H14N2.C8H11NO.C8H11N.C7H12N2.C7H15NO.2C7H10O.C6H13N.C6H12O.2C2H6/c1-7(2)10-6-5-8(3)11-9(10)4;1-7(2)9-4-8(3)5-10-6-9;3*1-7(2)9-4-5-10-6-8(9)3;1-7(2)9-4-5-10-8(3)6-9;1-7(2)9-5-4-6-10-8(9)3;1-8(2)10-9-6-4-3-5-7-9;1-6(2)8-5-10(4)9-7(8)3;1-6(2)7-3-4-8(10)9-5-7;1-7(2)8-4-3-5-9-6-8;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)7-4-3-5-8-7;1-6(2)7-4-3-5-7;1-5(2)7-6-3-4-6;2*1-2/h5-7H,1-4H3;6*4-7H,1-3H3;3-8H,1-2H3;5-6H,1-4H3;3-6H,1-2H3,(H,9,10);3-7H,1-2H3;4-6H,1-3H3;7H,3-6H2,1-2H3;2*3-6H,1-2H3;6H,3-5H2,1-2H3;5-6H,3-4H2,1-2H3;2*1-2H3
InChIKeyVIANZRFTABXFTO-UHFFFAOYSA-N
XLogP37.73
TPSA232.07 Ų
H-Bond Donors1
H-Bond Acceptors20
Rotatable Bonds19
Heavy Atoms162
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002226.45
LogP ≤ 537.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1020

Analyze 1,3-dimethyl-4-propan-2-ylpyrazole;2,6-dimethyl-3-propan-2-ylpyridine;ethane;1-methyl-5-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyridine;tris(3-methyl-4-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;1-propan-2-ylazetidine;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-ylmorpholine;propan-2-yloxybenzene;propan-2-yloxycyclopropane;3-propan-2-ylpyridine;5-propan-2-yl-1H-pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-propan-2-ylpyrazole;2,6-dimethyl-3-propan-2-ylpyridine;ethane;1-methyl-5-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyridine;tris(3-methyl-4-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;1-propan-2-ylazetidine;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-ylmorpholine;propan-2-yloxybenzene;propan-2-yloxycyclopropane;3-propan-2-ylpyridine;5-propan-2-yl-1H-pyridin-2-one?
The IUPAC name of 1,3-dimethyl-4-propan-2-ylpyrazole;2,6-dimethyl-3-propan-2-ylpyridine;ethane;1-methyl-5-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyridine;tris(3-methyl-4-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;1-propan-2-ylazetidine;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-ylmorpholine;propan-2-yloxybenzene;propan-2-yloxycyclopropane;3-propan-2-ylpyridine;5-propan-2-yl-1H-pyridin-2-one (CID 161304255) is 1,3-dimethyl-4-propan-2-ylpyrazole;2,6-dimethyl-3-propan-2-ylpyridine;ethane;1-methyl-5-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyridine;tris(3-methyl-4-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;1-propan-2-ylazetidine;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-ylmorpholine;propan-2-yloxybenzene;propan-2-yloxycyclopropane;3-propan-2-ylpyridine;5-propan-2-yl-1H-pyridin-2-one.
What is the SMILES notation for 1,3-dimethyl-4-propan-2-ylpyrazole;2,6-dimethyl-3-propan-2-ylpyridine;ethane;1-methyl-5-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyridine;tris(3-methyl-4-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;1-propan-2-ylazetidine;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-ylmorpholine;propan-2-yloxybenzene;propan-2-yloxycyclopropane;3-propan-2-ylpyridine;5-propan-2-yl-1H-pyridin-2-one?
The canonical SMILES for 1,3-dimethyl-4-propan-2-ylpyrazole;2,6-dimethyl-3-propan-2-ylpyridine;ethane;1-methyl-5-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyridine;tris(3-methyl-4-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;1-propan-2-ylazetidine;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-ylmorpholine;propan-2-yloxybenzene;propan-2-yloxycyclopropane;3-propan-2-ylpyridine;5-propan-2-yl-1H-pyridin-2-one is CC.CC.CC(C)N1CCC1.CC(C)N1CCOCC1.CC(C)OC1CC1.CC(C)Oc1ccccc1.CC(C)c1ccc(=O)[nH]c1.CC(C)c1cccnc1.CC(C)c1ccco1.CC(C)c1ccnn1C.CC(C)c1ccoc1.Cc1cc(C(C)C)ccn1.Cc1ccc(C(C)C)c(C)n1.Cc1cncc(C(C)C)c1.Cc1cnccc1C(C)C.Cc1cnccc1C(C)C.Cc1cnccc1C(C)C.Cc1ncccc1C(C)C.Cc1nn(C)cc1C(C)C.
What is the InChIKey of 1,3-dimethyl-4-propan-2-ylpyrazole;2,6-dimethyl-3-propan-2-ylpyridine;ethane;1-methyl-5-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyridine;tris(3-methyl-4-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;1-propan-2-ylazetidine;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-ylmorpholine;propan-2-yloxybenzene;propan-2-yloxycyclopropane;3-propan-2-ylpyridine;5-propan-2-yl-1H-pyridin-2-one?
The InChIKey is VIANZRFTABXFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N.6C9H13N.C9H12O.C8H14N2.C8H11NO.C8H11N.C7H12N2.C7H15NO.2C7H10O.C6H13N.C6H12O.2C2H6/c1-7(2)10-6-5-8(3)11-9(10)4;1-7(2)9-4-8(3)5-10-6-9;3*1-7(2)9-4-5-10-6-8(9)3;1-7(2)9-4-5-10-8(3)6-9;1-7(2)9-5-4-6-10-8(9)3;1-8(2)10-9-6-4-3-5-7-9;1-6(2)8-5-10(4)9-7(8)3;1-6(2)7-3-4-8(10)9-5-7;1-7(2)8-4-3-5-9-6-8;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)7-4-3-5-8-7;1-6(2)7-4-3-5-7;1-5(2)7-6-3-4-6;2*1-2/h5-7H,1-4H3;6*4-7H,1-3H3;3-8H,1-2H3;5-6H,1-4H3;3-6H,1-2H3,(H,9,10);3-7H,1-2H3;4-6H,1-3H3;7H,3-6H2,1-2H3;2*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;2,6-dimethyl-3-propan-2-ylpyridine;ethane;1-methyl-5-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyridine;tris(3-methyl-4-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;1-propan-2-ylazetidine;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-ylmorpholine;propan-2-yloxybenzene;propan-2-yloxycyclopropane;3-propan-2-ylpyridine;5-propan-2-yl-1H-pyridin-2-one?
1,3-dimethyl-4-propan-2-ylpyrazole;2,6-dimethyl-3-propan-2-ylpyridine;ethane;1-methyl-5-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyridine;tris(3-methyl-4-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;1-propan-2-ylazetidine;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-ylmorpholine;propan-2-yloxybenzene;propan-2-yloxycyclopropane;3-propan-2-ylpyridine;5-propan-2-yl-1H-pyridin-2-one has a molecular weight of 2226.45 g/mol, XLogP of 37.73, 19 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-propan-2-ylpyrazole;2,6-dimethyl-3-propan-2-ylpyridine;ethane;1-methyl-5-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyridine;tris(3-methyl-4-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;1-propan-2-ylazetidine;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-ylmorpholine;propan-2-yloxybenzene;propan-2-yloxycyclopropane;3-propan-2-ylpyridine;5-propan-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 161304255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).