pentane;1,3,5-trimethylpyrazole

C11H22N2 — CID 143472504

IUPACpentane;1,3,5-trimethylpyrazole
SMILESCCCCC.Cc1cc(C)n(C)n1
InChIInChI=1S/C6H10N2.C5H12/c1-5-4-6(2)8(3)7-5;1-3-5-4-2/h4H,1-3H3;3-5H2,1-2H3
InChIKeyBISDFFSRXBYDGT-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.23
Rot. Bonds2

About pentane;1,3,5-trimethylpyrazole

pentane;1,3,5-trimethylpyrazole (PubChem CID 143472504) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is pentane;1,3,5-trimethylpyrazole.

Molecular Properties

Compound Namepentane;1,3,5-trimethylpyrazole
PubChem CID143472504
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Namepentane;1,3,5-trimethylpyrazole
SMILESCCCCC.Cc1cc(C)n(C)n1
InChIInChI=1S/C6H10N2.C5H12/c1-5-4-6(2)8(3)7-5;1-3-5-4-2/h4H,1-3H3;3-5H2,1-2H3
InChIKeyBISDFFSRXBYDGT-UHFFFAOYSA-N
XLogP3.23
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

butane;hexane;1,3,5-trimethylpyrazole
CID 176922404
1-(2,5-dimethylpyrazol-3-yl)-N-methylpentan-1-amine
CID 105125646
1-(2,5-dimethylpyrazol-3-yl)-N-methylheptan-1-amine
CID 105126365
1-(2,5-dimethylpyrazol-3-yl)heptan-1-amine
CID 105126222
tributyl-(2,5-dimethylpyrazol-3-yl)stannane
CID 59164497
5-heptan-4-yl-1,3-dimethylpyrazole
CID 143472478
1-(2,5-dimethylpyrazol-3-yl)octylhydrazine
CID 105293599
1-(2,5-dimethylpyrazol-3-yl)-N-ethylheptan-1-amine
CID 105125896
(2,5-dimethylpyrazol-3-yl)-propyliodanium
CID 142223871
1-(1,5-dimethylpyrazol-3-yl)hexan-2-one
CID 58269992
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]octan-1-amine
CID 115573303
1-(2,5-dimethylpyrazol-3-yl)-N-methylundecan-2-amine
CID 104996240

Frequently Asked Questions

What is the IUPAC name of pentane;1,3,5-trimethylpyrazole?
The IUPAC name of pentane;1,3,5-trimethylpyrazole (CID 143472504) is pentane;1,3,5-trimethylpyrazole.
What is the SMILES notation for pentane;1,3,5-trimethylpyrazole?
The canonical SMILES for pentane;1,3,5-trimethylpyrazole is CCCCC.Cc1cc(C)n(C)n1.
What is the InChIKey of pentane;1,3,5-trimethylpyrazole?
The InChIKey is BISDFFSRXBYDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2.C5H12/c1-5-4-6(2)8(3)7-5;1-3-5-4-2/h4H,1-3H3;3-5H2,1-2H3.
What are the key properties of pentane;1,3,5-trimethylpyrazole?
pentane;1,3,5-trimethylpyrazole has a molecular weight of 182.31 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pentane;1,3,5-trimethylpyrazole is sourced from PubChem (CID 143472504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).