ethane;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole

C61H136N12 — CID 159403042

IUPACethane;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole
SMILESC.C.C.C.C.C.C.CC.CC.CC.CC.CC.CC.CC(C)c1ccn(C)n1.CC(C)c1ccnn1C.CC(C)c1cn(C)cn1.CC(C)c1cncn1C.CC(C)c1cnn(C)c1.CC(C)c1nccn1C
InChIInChI=1S/6C7H12N2.6C2H6.7CH4/c1-6(2)7-4-9(3)5-8-7;1-6(2)7-4-8-5-9(7)3;1-6(2)7-4-8-9(3)5-7;1-6(2)7-8-4-5-9(7)3;1-6(2)7-4-5-9(3)8-7;1-6(2)7-4-5-8-9(7)3;6*1-2;;;;;;;/h6*4-6H,1-3H3;6*1-2H3;7*1H4
InChIKeyLNPCDNWSPGUNDT-UHFFFAOYSA-N
MW1037.84 g/mol
LogP19.87
Rot. Bonds6

About ethane;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole

ethane;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole (PubChem CID 159403042) has the molecular formula C61H136N12 and a molecular weight of 1037.84 g/mol. Its IUPAC name is ethane;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole.

Molecular Properties

Compound Nameethane;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole
PubChem CID159403042
Molecular FormulaC61H136N12
Molecular Weight1037.84 g/mol
Exact Mass1037.10
IUPAC Nameethane;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole
SMILESC.C.C.C.C.C.C.CC.CC.CC.CC.CC.CC.CC(C)c1ccn(C)n1.CC(C)c1ccnn1C.CC(C)c1cn(C)cn1.CC(C)c1cncn1C.CC(C)c1cnn(C)c1.CC(C)c1nccn1C
InChIInChI=1S/6C7H12N2.6C2H6.7CH4/c1-6(2)7-4-9(3)5-8-7;1-6(2)7-4-8-5-9(7)3;1-6(2)7-4-8-9(3)5-7;1-6(2)7-8-4-5-9(7)3;1-6(2)7-4-5-9(3)8-7;1-6(2)7-4-5-8-9(7)3;6*1-2;;;;;;;/h6*4-6H,1-3H3;6*1-2H3;7*1H4
InChIKeyLNPCDNWSPGUNDT-UHFFFAOYSA-N
XLogP19.87
TPSA106.92 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms73
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001037.84
LogP ≤ 519.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze ethane;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole with MolForge

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Launch Full Analysis

Related Compounds

(1-methylimidazol-4-yl)-(1-methylpyrazol-3-yl)methanamine
CID 107977933
(1-methylpyrazol-3-yl)-(1-methylpyrazol-4-yl)methanamine
CID 65200249
1-methyl-4-propan-2-ylpyrazole;4-propan-2-ylpyridine
CID 163486860
(3-methylimidazol-4-yl)-(1-methylpyrazol-4-yl)methanol
CID 66116496
[(1-methylpyrazol-3-yl)-(1-methylpyrazol-4-yl)methyl]hydrazine
CID 105228610
1-tert-butyl-4-methylpiperazin-2-one;ethane;methane;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine
CID 162165714
bis(1,3-dimethyl-5-propan-2-ylpyrazole);methane;3-methyl-2-propan-2-ylfuran;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-yl-1,2,4-triazole;3-propan-2-yl-1-azabicyclo[2.2.2]octane;propan-2-ylcyclohexane;3-propan-2-ylcyclohexan-1-one;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;1-(6-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;5-propan-2-yl-1H-pyrazole;1-(4-propan-2-ylpyrimidin-2-yl)oxybutan-2-ol;2-propan-2-yl-1H-pyrrole
CID 160862190
N-[(1-methylimidazol-2-yl)-(1-methylimidazol-4-yl)methyl]ethanamine
CID 107975384
1-ethyl-4-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole
CID 163865872
cumene;N,N-dimethyl-1-(3-propan-2-ylphenyl)methanamine;N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)ethanamine;N,N-dimethyl-1-(6-propan-2-yl-3-pyridinyl)methanamine;methane;1-methyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrrole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;3-propan-2-ylthiophene
CID 167603465
ethane;1-fluoro-1-propan-2-ylcyclobutane;1-methyl-4-propan-2-ylpyrazole;2-propan-2-ylpyridine
CID 169165899
1,4-dimethyl-2-propan-2-ylpiperazine;ethane;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;4-methyl-2-propan-2-ylmorpholine;1-methyl-4-propan-2-ylpiperazine;bis(1-methyl-2-propan-2-ylpiperidine);1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;2-propan-2-yl-1,3-dihydroisoindole;1-propan-2-ylimidazole;bis(1-propan-2-ylpiperidine);3-propan-2-yl-1H-pyrazin-2-one;5-propan-2-yl-1H-pyrazin-2-one;6-propan-2-yl-1H-pyrazin-2-one;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 161372680

Frequently Asked Questions

What is the IUPAC name of ethane;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole?
The IUPAC name of ethane;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole (CID 159403042) is ethane;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole.
What is the SMILES notation for ethane;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole?
The canonical SMILES for ethane;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole is C.C.C.C.C.C.C.CC.CC.CC.CC.CC.CC.CC(C)c1ccn(C)n1.CC(C)c1ccnn1C.CC(C)c1cn(C)cn1.CC(C)c1cncn1C.CC(C)c1cnn(C)c1.CC(C)c1nccn1C.
What is the InChIKey of ethane;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole?
The InChIKey is LNPCDNWSPGUNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/6C7H12N2.6C2H6.7CH4/c1-6(2)7-4-9(3)5-8-7;1-6(2)7-4-8-5-9(7)3;1-6(2)7-4-8-9(3)5-7;1-6(2)7-8-4-5-9(7)3;1-6(2)7-4-5-9(3)8-7;1-6(2)7-4-5-8-9(7)3;6*1-2;;;;;;;/h6*4-6H,1-3H3;6*1-2H3;7*1H4.
What are the key properties of ethane;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole?
ethane;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole has a molecular weight of 1037.84 g/mol, XLogP of 19.87, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole is sourced from PubChem (CID 159403042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).