ethane;1-methyl-5-propan-2-ylpyrazole;4-propan-2-yl-3,6-dihydro-2H-pyran;3-propan-2-ylfuran;3-propan-2-yloxolane;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine

C74H135N7O3 — CID 157463734

IUPACethane;1-methyl-5-propan-2-ylpyrazole;4-propan-2-yl-3,6-dihydro-2H-pyran;3-propan-2-ylfuran;3-propan-2-yloxolane;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine
SMILESCC.CC.CC.CC.CC.CC.CC.CC(C)C1=CCOCC1.CC(C)C1CCOC1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1ccnn1C.CC(C)c1ccoc1.CC(C)c1cnccn1
InChIInChI=1S/3C8H11N.C8H14O.C7H12N2.C7H10N2.C7H14O.C7H10O.7C2H6/c1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-7(2)8-3-5-9-6-4-8;1-6(2)7-4-5-8-9(7)3;1-6(2)7-5-8-3-4-9-7;2*1-6(2)7-3-4-8-5-7;7*1-2/h3*3-7H,1-2H3;3,7H,4-6H2,1-2H3;4-6H,1-3H3;3-6H,1-2H3;6-7H,3-5H2,1-2H3;3-6H,1-2H3;7*1-2H3
InChIKeyBUFPGDJYLVZJRG-UHFFFAOYSA-N
MW1170.94 g/mol
LogP23.01
Rot. Bonds8

About ethane;1-methyl-5-propan-2-ylpyrazole;4-propan-2-yl-3,6-dihydro-2H-pyran;3-propan-2-ylfuran;3-propan-2-yloxolane;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine

ethane;1-methyl-5-propan-2-ylpyrazole;4-propan-2-yl-3,6-dihydro-2H-pyran;3-propan-2-ylfuran;3-propan-2-yloxolane;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine (PubChem CID 157463734) has the molecular formula C74H135N7O3 and a molecular weight of 1170.94 g/mol. Its IUPAC name is ethane;1-methyl-5-propan-2-ylpyrazole;4-propan-2-yl-3,6-dihydro-2H-pyran;3-propan-2-ylfuran;3-propan-2-yloxolane;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine.

Molecular Properties

Compound Nameethane;1-methyl-5-propan-2-ylpyrazole;4-propan-2-yl-3,6-dihydro-2H-pyran;3-propan-2-ylfuran;3-propan-2-yloxolane;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine
PubChem CID157463734
Molecular FormulaC74H135N7O3
Molecular Weight1170.94 g/mol
Exact Mass1170.06
IUPAC Nameethane;1-methyl-5-propan-2-ylpyrazole;4-propan-2-yl-3,6-dihydro-2H-pyran;3-propan-2-ylfuran;3-propan-2-yloxolane;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine
SMILESCC.CC.CC.CC.CC.CC.CC.CC(C)C1=CCOCC1.CC(C)C1CCOC1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1ccnn1C.CC(C)c1ccoc1.CC(C)c1cnccn1
InChIInChI=1S/3C8H11N.C8H14O.C7H12N2.C7H10N2.C7H14O.C7H10O.7C2H6/c1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-7(2)8-3-5-9-6-4-8;1-6(2)7-4-5-8-9(7)3;1-6(2)7-5-8-3-4-9-7;2*1-6(2)7-3-4-8-5-7;7*1-2/h3*3-7H,1-2H3;3,7H,4-6H2,1-2H3;4-6H,1-3H3;3-6H,1-2H3;6-7H,3-5H2,1-2H3;3-6H,1-2H3;7*1-2H3
InChIKeyBUFPGDJYLVZJRG-UHFFFAOYSA-N
XLogP23.01
TPSA113.87 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001170.94
LogP ≤ 523.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze ethane;1-methyl-5-propan-2-ylpyrazole;4-propan-2-yl-3,6-dihydro-2H-pyran;3-propan-2-ylfuran;3-propan-2-yloxolane;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine with MolForge

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Launch Full Analysis

Related Compounds

2-(1-{[1-(3-furylmethyl)-4-piperidinyl]methyl}-1H-1,2,3-triazol-4-yl)pyridine trifluoroacetate
CID 29026172
Ethane;2-fluoro-5-(5-methylfuran-3-yl)pyridine;3-(4-methyltriazol-1-yl)-1-azabicyclo[2.2.2]octane
CID 144461979
2,3-Di(propan-2-yl)furan;bis(2,3-di(propan-2-yl)pyridine);bis(3,4-di(propan-2-yl)pyridine);2,3-di(propan-2-yl)thiophene;1-methyl-4,5-di(propan-2-yl)pyrazole
CID 157125478
N-[(2,4-dimethylfuran-3-yl)methyl]propan-2-amine;N-[2-(3,5-dimethyl-2H-pyrrol-4-yl)ethyl]propan-2-amine;3-methyl-N-propan-2-yl-N-(2-pyridin-2-ylethyl)butan-1-amine;3-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)butan-1-amine;N-(2-pyrazol-1-ylethyl)propan-2-amine;N-(2-pyridin-2-ylethyl)propan-2-amine;N-(pyridin-2-ylmethyl)propan-2-amine
CID 157138679
bis(tert-butylbenzene);4-tert-butyl-3-cyclopropyl-2H-pyrrole;4-tert-butyl-1,5-dimethylpyrazole;3-tert-butyl-2,6-dimethylpyridine;2-tert-butylfuran;2-tert-butyl-3-methylfuran;2-tert-butyl-5-methylfuran;3-tert-butyl-5-methylpyridine;5-tert-butyl-2-methylpyridine;2-tert-butylpyridine;1-tert-butylpyrrole;5-tert-butyl-3H-pyrrole;1-tert-butylpyrrolidine
CID 157480971
2-(6,6-dimethylheptan-3-yl)pyrazine;4-(6,6-dimethylheptyl)pyridazine;2-(5,5-dimethylhexan-2-yl)-1H-pyrrole;4,4-dimethylpentan-2-ylbenzene;2-(2,2-dimethylpropyl)furan
CID 157495054
Cumene;2-methylpropane;2-propan-2-ylfuran;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;pyridine
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1,4-dimethylcyclohexane;1,4-dimethyl-3,6-dihydro-2H-pyridine;bis(2,5-dimethylfuran);1,4-dimethylpiperazine;1,4-dimethylpiperidine;3,5-dimethyl-1H-pyrazole;bis(2,5-dimethylpyridine);1,4-xylene
CID 157839459
Cumene;ethane;methyl 4-methylpentanoate;4-(2-methylpropyl)pyridine;3-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine
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Cumene;ethane;methyl 4-methylpentanoate;4-(2-methylpropyl)pyridine;3-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine
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Cumene;methane;1-methoxy-3-propan-2-ylbenzene;4-methyl-1-(2-methylpropyl)triazole;bis(1-methyl-4-propan-2-ylbenzene);3-propan-2-ylfuran;3-propan-2-ylpyridine
CID 158508591
2-[3-(1-Methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]-1-(2-propan-2-yloxy-4-pyridinyl)ethanone
CID 158941384

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-5-propan-2-ylpyrazole;4-propan-2-yl-3,6-dihydro-2H-pyran;3-propan-2-ylfuran;3-propan-2-yloxolane;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine?
The IUPAC name of ethane;1-methyl-5-propan-2-ylpyrazole;4-propan-2-yl-3,6-dihydro-2H-pyran;3-propan-2-ylfuran;3-propan-2-yloxolane;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine (CID 157463734) is ethane;1-methyl-5-propan-2-ylpyrazole;4-propan-2-yl-3,6-dihydro-2H-pyran;3-propan-2-ylfuran;3-propan-2-yloxolane;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine.
What is the SMILES notation for ethane;1-methyl-5-propan-2-ylpyrazole;4-propan-2-yl-3,6-dihydro-2H-pyran;3-propan-2-ylfuran;3-propan-2-yloxolane;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine?
The canonical SMILES for ethane;1-methyl-5-propan-2-ylpyrazole;4-propan-2-yl-3,6-dihydro-2H-pyran;3-propan-2-ylfuran;3-propan-2-yloxolane;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine is CC.CC.CC.CC.CC.CC.CC.CC(C)C1=CCOCC1.CC(C)C1CCOC1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1ccnn1C.CC(C)c1ccoc1.CC(C)c1cnccn1.
What is the InChIKey of ethane;1-methyl-5-propan-2-ylpyrazole;4-propan-2-yl-3,6-dihydro-2H-pyran;3-propan-2-ylfuran;3-propan-2-yloxolane;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine?
The InChIKey is BUFPGDJYLVZJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/3C8H11N.C8H14O.C7H12N2.C7H10N2.C7H14O.C7H10O.7C2H6/c1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-7(2)8-3-5-9-6-4-8;1-6(2)7-4-5-8-9(7)3;1-6(2)7-5-8-3-4-9-7;2*1-6(2)7-3-4-8-5-7;7*1-2/h3*3-7H,1-2H3;3,7H,4-6H2,1-2H3;4-6H,1-3H3;3-6H,1-2H3;6-7H,3-5H2,1-2H3;3-6H,1-2H3;7*1-2H3.
What are the key properties of ethane;1-methyl-5-propan-2-ylpyrazole;4-propan-2-yl-3,6-dihydro-2H-pyran;3-propan-2-ylfuran;3-propan-2-yloxolane;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine?
ethane;1-methyl-5-propan-2-ylpyrazole;4-propan-2-yl-3,6-dihydro-2H-pyran;3-propan-2-ylfuran;3-propan-2-yloxolane;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine has a molecular weight of 1170.94 g/mol, XLogP of 23.01, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-5-propan-2-ylpyrazole;4-propan-2-yl-3,6-dihydro-2H-pyran;3-propan-2-ylfuran;3-propan-2-yloxolane;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine is sourced from PubChem (CID 157463734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).