1,3-diethyl-4-propan-2-ylpyrazole;2-ethoxy-3-propan-2-ylpyridine;3-ethoxy-4-propan-2-ylpyridine;3-ethoxy-5-propan-2-ylpyridine;2-ethyl-6-methyl-3-propan-2-ylpyridine;1-ethyl-5-propan-2-ylpyrazole;2-ethyl-4-propan-2-ylpyridine;3-ethyl-4-propan-2-ylpyridine;3-methyl-4-propan-2-ylpyridine;propane;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

C152H247N15O9 — CID 158343862

IUPAC1,3-diethyl-4-propan-2-ylpyrazole;2-ethoxy-3-propan-2-ylpyridine;3-ethoxy-4-propan-2-ylpyridine;3-ethoxy-5-propan-2-ylpyridine;2-ethyl-6-methyl-3-propan-2-ylpyridine;1-ethyl-5-propan-2-ylpyrazole;2-ethyl-4-propan-2-ylpyridine;3-ethyl-4-propan-2-ylpyridine;3-methyl-4-propan-2-ylpyridine;propane;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(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)c1ccoc1.CCC.CCC.CCOc1cncc(C(C)C)c1.CCOc1cnccc1C(C)C.CCOc1ncccc1C(C)C.CCc1cc(C(C)C)ccn1.CCc1cnccc1C(C)C.CCc1nc(C)ccc1C(C)C.CCc1nn(CC)cc1C(C)C.CCn1nccc1C(C)C.Cc1cnccc1C(C)C
InChIInChI=1S/C11H17N.C10H18N2.3C10H15NO.2C10H15N.C9H13N.C9H12O.C8H14N2.C8H11NO.C8H11N.C7H15NO.2C7H10O.C6H13N.C6H12O.2C3H8/c1-5-11-10(8(2)3)7-6-9(4)12-11;1-5-10-9(8(3)4)7-12(6-2)11-10;1-4-12-10-5-9(8(2)3)6-11-7-10;1-4-12-10-7-11-6-5-9(10)8(2)3;1-4-12-10-9(8(2)3)6-5-7-11-10;1-4-10-7-9(8(2)3)5-6-11-10;1-4-9-7-11-6-5-10(9)8(2)3;1-7(2)9-4-5-10-6-8(9)3;1-8(2)10-9-6-4-3-5-7-9;1-4-10-8(7(2)3)5-6-9-10;1-6(2)7-3-4-8(10)9-5-7;1-7(2)8-4-3-5-9-6-8;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*1-3-2/h6-8H,5H2,1-4H3;7-8H,5-6H2,1-4H3;3*5-8H,4H2,1-3H3;2*5-8H,4H2,1-3H3;4-7H,1-3H3;3-8H,1-2H3;5-7H,4H2,1-3H3;3-6H,1-2H3,(H,9,10);3-7H,1-2H3;7H,3-6H2,1-2H3;2*3-6H,1-2H3;6H,3-5H2,1-2H3;5-6H,3-4H2,1-2H3;2*3H2,1-2H3
InChIKeyGRMIXDOKKHTQHD-UHFFFAOYSA-N
MW2428.74 g/mol
LogP40.77
Rot. Bonds31

About 1,3-diethyl-4-propan-2-ylpyrazole;2-ethoxy-3-propan-2-ylpyridine;3-ethoxy-4-propan-2-ylpyridine;3-ethoxy-5-propan-2-ylpyridine;2-ethyl-6-methyl-3-propan-2-ylpyridine;1-ethyl-5-propan-2-ylpyrazole;2-ethyl-4-propan-2-ylpyridine;3-ethyl-4-propan-2-ylpyridine;3-methyl-4-propan-2-ylpyridine;propane;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-diethyl-4-propan-2-ylpyrazole;2-ethoxy-3-propan-2-ylpyridine;3-ethoxy-4-propan-2-ylpyridine;3-ethoxy-5-propan-2-ylpyridine;2-ethyl-6-methyl-3-propan-2-ylpyridine;1-ethyl-5-propan-2-ylpyrazole;2-ethyl-4-propan-2-ylpyridine;3-ethyl-4-propan-2-ylpyridine;3-methyl-4-propan-2-ylpyridine;propane;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 158343862) has the molecular formula C152H247N15O9 and a molecular weight of 2428.74 g/mol. Its IUPAC name is 1,3-diethyl-4-propan-2-ylpyrazole;2-ethoxy-3-propan-2-ylpyridine;3-ethoxy-4-propan-2-ylpyridine;3-ethoxy-5-propan-2-ylpyridine;2-ethyl-6-methyl-3-propan-2-ylpyridine;1-ethyl-5-propan-2-ylpyrazole;2-ethyl-4-propan-2-ylpyridine;3-ethyl-4-propan-2-ylpyridine;3-methyl-4-propan-2-ylpyridine;propane;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-diethyl-4-propan-2-ylpyrazole;2-ethoxy-3-propan-2-ylpyridine;3-ethoxy-4-propan-2-ylpyridine;3-ethoxy-5-propan-2-ylpyridine;2-ethyl-6-methyl-3-propan-2-ylpyridine;1-ethyl-5-propan-2-ylpyrazole;2-ethyl-4-propan-2-ylpyridine;3-ethyl-4-propan-2-ylpyridine;3-methyl-4-propan-2-ylpyridine;propane;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 CID158343862
Molecular FormulaC152H247N15O9
Molecular Weight2428.74 g/mol
Exact Mass2426.93
IUPAC Name1,3-diethyl-4-propan-2-ylpyrazole;2-ethoxy-3-propan-2-ylpyridine;3-ethoxy-4-propan-2-ylpyridine;3-ethoxy-5-propan-2-ylpyridine;2-ethyl-6-methyl-3-propan-2-ylpyridine;1-ethyl-5-propan-2-ylpyrazole;2-ethyl-4-propan-2-ylpyridine;3-ethyl-4-propan-2-ylpyridine;3-methyl-4-propan-2-ylpyridine;propane;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(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)c1ccoc1.CCC.CCC.CCOc1cncc(C(C)C)c1.CCOc1cnccc1C(C)C.CCOc1ncccc1C(C)C.CCc1cc(C(C)C)ccn1.CCc1cnccc1C(C)C.CCc1nc(C)ccc1C(C)C.CCc1nn(CC)cc1C(C)C.CCn1nccc1C(C)C.Cc1cnccc1C(C)C
InChIInChI=1S/C11H17N.C10H18N2.3C10H15NO.2C10H15N.C9H13N.C9H12O.C8H14N2.C8H11NO.C8H11N.C7H15NO.2C7H10O.C6H13N.C6H12O.2C3H8/c1-5-11-10(8(2)3)7-6-9(4)12-11;1-5-10-9(8(3)4)7-12(6-2)11-10;1-4-12-10-5-9(8(2)3)6-11-7-10;1-4-12-10-7-11-6-5-9(10)8(2)3;1-4-12-10-9(8(2)3)6-5-7-11-10;1-4-10-7-9(8(2)3)5-6-11-10;1-4-9-7-11-6-5-10(9)8(2)3;1-7(2)9-4-5-10-6-8(9)3;1-8(2)10-9-6-4-3-5-7-9;1-4-10-8(7(2)3)5-6-9-10;1-6(2)7-3-4-8(10)9-5-7;1-7(2)8-4-3-5-9-6-8;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*1-3-2/h6-8H,5H2,1-4H3;7-8H,5-6H2,1-4H3;3*5-8H,4H2,1-3H3;2*5-8H,4H2,1-3H3;4-7H,1-3H3;3-8H,1-2H3;5-7H,4H2,1-3H3;3-6H,1-2H3,(H,9,10);3-7H,1-2H3;7H,3-6H2,1-2H3;2*3-6H,1-2H3;6H,3-5H2,1-2H3;5-6H,3-4H2,1-2H3;2*3H2,1-2H3
InChIKeyGRMIXDOKKHTQHD-UHFFFAOYSA-N
XLogP40.77
TPSA259.76 Ų
H-Bond Donors1
H-Bond Acceptors23
Rotatable Bonds31
Heavy Atoms176
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002428.74
LogP ≤ 540.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1023

Analyze 1,3-diethyl-4-propan-2-ylpyrazole;2-ethoxy-3-propan-2-ylpyridine;3-ethoxy-4-propan-2-ylpyridine;3-ethoxy-5-propan-2-ylpyridine;2-ethyl-6-methyl-3-propan-2-ylpyridine;1-ethyl-5-propan-2-ylpyrazole;2-ethyl-4-propan-2-ylpyridine;3-ethyl-4-propan-2-ylpyridine;3-methyl-4-propan-2-ylpyridine;propane;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-diethyl-4-propan-2-ylpyrazole;2-ethoxy-3-propan-2-ylpyridine;3-ethoxy-4-propan-2-ylpyridine;3-ethoxy-5-propan-2-ylpyridine;2-ethyl-6-methyl-3-propan-2-ylpyridine;1-ethyl-5-propan-2-ylpyrazole;2-ethyl-4-propan-2-ylpyridine;3-ethyl-4-propan-2-ylpyridine;3-methyl-4-propan-2-ylpyridine;propane;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-diethyl-4-propan-2-ylpyrazole;2-ethoxy-3-propan-2-ylpyridine;3-ethoxy-4-propan-2-ylpyridine;3-ethoxy-5-propan-2-ylpyridine;2-ethyl-6-methyl-3-propan-2-ylpyridine;1-ethyl-5-propan-2-ylpyrazole;2-ethyl-4-propan-2-ylpyridine;3-ethyl-4-propan-2-ylpyridine;3-methyl-4-propan-2-ylpyridine;propane;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 158343862) is 1,3-diethyl-4-propan-2-ylpyrazole;2-ethoxy-3-propan-2-ylpyridine;3-ethoxy-4-propan-2-ylpyridine;3-ethoxy-5-propan-2-ylpyridine;2-ethyl-6-methyl-3-propan-2-ylpyridine;1-ethyl-5-propan-2-ylpyrazole;2-ethyl-4-propan-2-ylpyridine;3-ethyl-4-propan-2-ylpyridine;3-methyl-4-propan-2-ylpyridine;propane;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-diethyl-4-propan-2-ylpyrazole;2-ethoxy-3-propan-2-ylpyridine;3-ethoxy-4-propan-2-ylpyridine;3-ethoxy-5-propan-2-ylpyridine;2-ethyl-6-methyl-3-propan-2-ylpyridine;1-ethyl-5-propan-2-ylpyrazole;2-ethyl-4-propan-2-ylpyridine;3-ethyl-4-propan-2-ylpyridine;3-methyl-4-propan-2-ylpyridine;propane;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-diethyl-4-propan-2-ylpyrazole;2-ethoxy-3-propan-2-ylpyridine;3-ethoxy-4-propan-2-ylpyridine;3-ethoxy-5-propan-2-ylpyridine;2-ethyl-6-methyl-3-propan-2-ylpyridine;1-ethyl-5-propan-2-ylpyrazole;2-ethyl-4-propan-2-ylpyridine;3-ethyl-4-propan-2-ylpyridine;3-methyl-4-propan-2-ylpyridine;propane;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(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)c1ccoc1.CCC.CCC.CCOc1cncc(C(C)C)c1.CCOc1cnccc1C(C)C.CCOc1ncccc1C(C)C.CCc1cc(C(C)C)ccn1.CCc1cnccc1C(C)C.CCc1nc(C)ccc1C(C)C.CCc1nn(CC)cc1C(C)C.CCn1nccc1C(C)C.Cc1cnccc1C(C)C.
What is the InChIKey of 1,3-diethyl-4-propan-2-ylpyrazole;2-ethoxy-3-propan-2-ylpyridine;3-ethoxy-4-propan-2-ylpyridine;3-ethoxy-5-propan-2-ylpyridine;2-ethyl-6-methyl-3-propan-2-ylpyridine;1-ethyl-5-propan-2-ylpyrazole;2-ethyl-4-propan-2-ylpyridine;3-ethyl-4-propan-2-ylpyridine;3-methyl-4-propan-2-ylpyridine;propane;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 GRMIXDOKKHTQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N.C10H18N2.3C10H15NO.2C10H15N.C9H13N.C9H12O.C8H14N2.C8H11NO.C8H11N.C7H15NO.2C7H10O.C6H13N.C6H12O.2C3H8/c1-5-11-10(8(2)3)7-6-9(4)12-11;1-5-10-9(8(3)4)7-12(6-2)11-10;1-4-12-10-5-9(8(2)3)6-11-7-10;1-4-12-10-7-11-6-5-9(10)8(2)3;1-4-12-10-9(8(2)3)6-5-7-11-10;1-4-10-7-9(8(2)3)5-6-11-10;1-4-9-7-11-6-5-10(9)8(2)3;1-7(2)9-4-5-10-6-8(9)3;1-8(2)10-9-6-4-3-5-7-9;1-4-10-8(7(2)3)5-6-9-10;1-6(2)7-3-4-8(10)9-5-7;1-7(2)8-4-3-5-9-6-8;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*1-3-2/h6-8H,5H2,1-4H3;7-8H,5-6H2,1-4H3;3*5-8H,4H2,1-3H3;2*5-8H,4H2,1-3H3;4-7H,1-3H3;3-8H,1-2H3;5-7H,4H2,1-3H3;3-6H,1-2H3,(H,9,10);3-7H,1-2H3;7H,3-6H2,1-2H3;2*3-6H,1-2H3;6H,3-5H2,1-2H3;5-6H,3-4H2,1-2H3;2*3H2,1-2H3.
What are the key properties of 1,3-diethyl-4-propan-2-ylpyrazole;2-ethoxy-3-propan-2-ylpyridine;3-ethoxy-4-propan-2-ylpyridine;3-ethoxy-5-propan-2-ylpyridine;2-ethyl-6-methyl-3-propan-2-ylpyridine;1-ethyl-5-propan-2-ylpyrazole;2-ethyl-4-propan-2-ylpyridine;3-ethyl-4-propan-2-ylpyridine;3-methyl-4-propan-2-ylpyridine;propane;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-diethyl-4-propan-2-ylpyrazole;2-ethoxy-3-propan-2-ylpyridine;3-ethoxy-4-propan-2-ylpyridine;3-ethoxy-5-propan-2-ylpyridine;2-ethyl-6-methyl-3-propan-2-ylpyridine;1-ethyl-5-propan-2-ylpyrazole;2-ethyl-4-propan-2-ylpyridine;3-ethyl-4-propan-2-ylpyridine;3-methyl-4-propan-2-ylpyridine;propane;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 2428.74 g/mol, XLogP of 40.77, 31 rotatable bonds, 1 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-4-propan-2-ylpyrazole;2-ethoxy-3-propan-2-ylpyridine;3-ethoxy-4-propan-2-ylpyridine;3-ethoxy-5-propan-2-ylpyridine;2-ethyl-6-methyl-3-propan-2-ylpyridine;1-ethyl-5-propan-2-ylpyrazole;2-ethyl-4-propan-2-ylpyridine;3-ethyl-4-propan-2-ylpyridine;3-methyl-4-propan-2-ylpyridine;propane;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 158343862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).