ethane;2-methylpropane;1-propan-2-ylpyrazole

C12H26N2 — CID 158347512

IUPACethane;2-methylpropane;1-propan-2-ylpyrazole
SMILESCC.CC(C)C.CC(C)n1cccn1
InChIInChI=1S/C6H10N2.C4H10.C2H6/c1-6(2)8-5-3-4-7-8;1-4(2)3;1-2/h3-6H,1-2H3;4H,1-3H3;1-2H3
InChIKeyGRXJKULMTTWXIZ-UHFFFAOYSA-N
MW198.35 g/mol
LogP4.15
Rot. Bonds1

About ethane;2-methylpropane;1-propan-2-ylpyrazole

ethane;2-methylpropane;1-propan-2-ylpyrazole (PubChem CID 158347512) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is ethane;2-methylpropane;1-propan-2-ylpyrazole.

Molecular Properties

Compound Nameethane;2-methylpropane;1-propan-2-ylpyrazole
PubChem CID158347512
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Nameethane;2-methylpropane;1-propan-2-ylpyrazole
SMILESCC.CC(C)C.CC(C)n1cccn1
InChIInChI=1S/C6H10N2.C4H10.C2H6/c1-6(2)8-5-3-4-7-8;1-4(2)3;1-2/h3-6H,1-2H3;4H,1-3H3;1-2H3
InChIKeyGRXJKULMTTWXIZ-UHFFFAOYSA-N
XLogP4.15
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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methane;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;yttrium
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1-[di(pyrazol-1-yl)methyl]pyrazole
CID 5243808
2-methyl-1-pyrazol-1-ylpropan-1-ol
CID 70596734
1-[(2R)-3,3-dimethylbutan-2-yl]pyrazole
CID 170411970
1-(1-cyclopropylethyl)pyrazole
CID 61272490
1-(2-methyl-1-nitrosopropyl)pyrazole
CID 54424052
(3S)-3-pyrazol-1-ylbutanenitrile
CID 42573786
(2S)-2-pyrazol-1-ylpropanamide
CID 42576360
2-pyrazol-1-ylpropanamide
CID 25248322

Frequently Asked Questions

What is the IUPAC name of ethane;2-methylpropane;1-propan-2-ylpyrazole?
The IUPAC name of ethane;2-methylpropane;1-propan-2-ylpyrazole (CID 158347512) is ethane;2-methylpropane;1-propan-2-ylpyrazole.
What is the SMILES notation for ethane;2-methylpropane;1-propan-2-ylpyrazole?
The canonical SMILES for ethane;2-methylpropane;1-propan-2-ylpyrazole is CC.CC(C)C.CC(C)n1cccn1.
What is the InChIKey of ethane;2-methylpropane;1-propan-2-ylpyrazole?
The InChIKey is GRXJKULMTTWXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2.C4H10.C2H6/c1-6(2)8-5-3-4-7-8;1-4(2)3;1-2/h3-6H,1-2H3;4H,1-3H3;1-2H3.
What are the key properties of ethane;2-methylpropane;1-propan-2-ylpyrazole?
ethane;2-methylpropane;1-propan-2-ylpyrazole has a molecular weight of 198.35 g/mol, XLogP of 4.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylpropane;1-propan-2-ylpyrazole is sourced from PubChem (CID 158347512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).