argon;ethane;1-ethyl-3-methylpyrazole

C18H46Ar6N2 — CID 160730731

IUPACargon;ethane;1-ethyl-3-methylpyrazole
SMILESCC.CC.CC.CC.CC.CC.CCn1ccc(C)n1.[Ar].[Ar].[Ar].[Ar].[Ar].[Ar]
InChIInChI=1S/C6H10N2.6C2H6.6Ar/c1-3-8-5-4-6(2)7-8;6*1-2;;;;;;/h4-5H,3H2,1-2H3;6*1-2H3;;;;;;
InChIKeyRUHMYQDQTVOWIW-UHFFFAOYSA-N
MW530.27 g/mol
LogP7.37
Rot. Bonds1

About argon;ethane;1-ethyl-3-methylpyrazole

argon;ethane;1-ethyl-3-methylpyrazole (PubChem CID 160730731) has the molecular formula C18H46Ar6N2 and a molecular weight of 530.27 g/mol. Its IUPAC name is argon;ethane;1-ethyl-3-methylpyrazole.

Molecular Properties

Compound Nameargon;ethane;1-ethyl-3-methylpyrazole
PubChem CID160730731
Molecular FormulaC18H46Ar6N2
Molecular Weight530.27 g/mol
Exact Mass530.14
IUPAC Nameargon;ethane;1-ethyl-3-methylpyrazole
SMILESCC.CC.CC.CC.CC.CC.CCn1ccc(C)n1.[Ar].[Ar].[Ar].[Ar].[Ar].[Ar]
InChIInChI=1S/C6H10N2.6C2H6.6Ar/c1-3-8-5-4-6(2)7-8;6*1-2;;;;;;/h4-5H,3H2,1-2H3;6*1-2H3;;;;;;
InChIKeyRUHMYQDQTVOWIW-UHFFFAOYSA-N
XLogP7.37
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.27
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-3-methylpyrazole
CID 12002774
ethane;1-(2-methoxyethyl)-3-methylpyrazole
CID 153333995
2-(3-methylpyrazol-1-yl)acetonitrile
CID 14028987
ethane;1-ethyl-3-propan-2-ylpyrazole
CID 143299826
1-(3-fluoropropyl)-3-methylpyrazole
CID 81114293
1-(3-chloroprop-2-enyl)-3-methylpyrazole
CID 77037682
(2S)-2-methyl-3-(3-methylpyrazol-1-yl)propan-1-amine
CID 42552280
1-ethyl-3-(1-methylpyrazol-3-yl)pyrazole
CID 175388618
N,N,2-trimethyl-1-(3-methylpyrazol-1-yl)propan-2-amine
CID 58328473
(2S)-1-amino-3-(3-methylpyrazol-1-yl)propan-2-ol
CID 95366494
2-amino-3-(3-methylpyrazol-1-yl)propan-1-ol
CID 64809484
1,3-bis[(3-methylpyrazol-1-yl)methyl]imidazolidine-2-thione
CID 2245195

Frequently Asked Questions

What is the IUPAC name of argon;ethane;1-ethyl-3-methylpyrazole?
The IUPAC name of argon;ethane;1-ethyl-3-methylpyrazole (CID 160730731) is argon;ethane;1-ethyl-3-methylpyrazole.
What is the SMILES notation for argon;ethane;1-ethyl-3-methylpyrazole?
The canonical SMILES for argon;ethane;1-ethyl-3-methylpyrazole is CC.CC.CC.CC.CC.CC.CCn1ccc(C)n1.[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].
What is the InChIKey of argon;ethane;1-ethyl-3-methylpyrazole?
The InChIKey is RUHMYQDQTVOWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2.6C2H6.6Ar/c1-3-8-5-4-6(2)7-8;6*1-2;;;;;;/h4-5H,3H2,1-2H3;6*1-2H3;;;;;;.
What are the key properties of argon;ethane;1-ethyl-3-methylpyrazole?
argon;ethane;1-ethyl-3-methylpyrazole has a molecular weight of 530.27 g/mol, XLogP of 7.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for argon;ethane;1-ethyl-3-methylpyrazole is sourced from PubChem (CID 160730731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).