1,2-dimethyl-3-propan-2-ylbenzene;7-propan-2-ylpyrazolo[1,5-a]pyridine;prop-1-ene

C24H34N2 — CID 165135879

IUPAC1,2-dimethyl-3-propan-2-ylbenzene;7-propan-2-ylpyrazolo[1,5-a]pyridine;prop-1-ene
SMILESC=CC.CC(C)c1cccc2ccnn12.Cc1cccc(C(C)C)c1C
InChIInChI=1S/C11H16.C10H12N2.C3H6/c1-8(2)11-7-5-6-9(3)10(11)4;1-8(2)10-5-3-4-9-6-7-11-12(9)10;1-3-2/h5-8H,1-4H3;3-8H,1-2H3;3H,1H2,2H3
InChIKeyOMPNWPJAUUESJE-UHFFFAOYSA-N
MW350.55 g/mol
LogP7.08
Rot. Bonds2

About 1,2-dimethyl-3-propan-2-ylbenzene;7-propan-2-ylpyrazolo[1,5-a]pyridine;prop-1-ene

1,2-dimethyl-3-propan-2-ylbenzene;7-propan-2-ylpyrazolo[1,5-a]pyridine;prop-1-ene (PubChem CID 165135879) has the molecular formula C24H34N2 and a molecular weight of 350.55 g/mol. Its IUPAC name is 1,2-dimethyl-3-propan-2-ylbenzene;7-propan-2-ylpyrazolo[1,5-a]pyridine;prop-1-ene.

Molecular Properties

Compound Name1,2-dimethyl-3-propan-2-ylbenzene;7-propan-2-ylpyrazolo[1,5-a]pyridine;prop-1-ene
PubChem CID165135879
Molecular FormulaC24H34N2
Molecular Weight350.55 g/mol
Exact Mass350.27
IUPAC Name1,2-dimethyl-3-propan-2-ylbenzene;7-propan-2-ylpyrazolo[1,5-a]pyridine;prop-1-ene
SMILESC=CC.CC(C)c1cccc2ccnn12.Cc1cccc(C(C)C)c1C
InChIInChI=1S/C11H16.C10H12N2.C3H6/c1-8(2)11-7-5-6-9(3)10(11)4;1-8(2)10-5-3-4-9-6-7-11-12(9)10;1-3-2/h5-8H,1-4H3;3-8H,1-2H3;3H,1H2,2H3
InChIKeyOMPNWPJAUUESJE-UHFFFAOYSA-N
XLogP7.08
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.55
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-pyrazolo[1,5-a]pyridin-7-ylethanamine
CID 83826617
7-butan-2-ylpyrazolo[1,5-a]pyridine
CID 177348824
1,2-dimethyl-3-propan-2-ylbenzene;N-methylmethanamine
CID 143062777
5-propan-2-ylpyrazolo[1,5-a]pyridine;6-propan-2-ylpyrazolo[1,5-a]pyridine;7-propan-2-ylpyrazolo[1,5-a]pyridine
CID 159834481
ethene;methane;2-methyl-1,3-di(propan-2-yl)benzene
CID 142526423
1,2-dimethyl-3-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;methane
CID 142540260
4-[1-(2,3-dimethylphenyl)ethyl]-1-methylimidazole
CID 134093732
pyrazolo[1,5-a]pyridine-7-carbaldehyde
CID 10866474
1-methyl-2-propan-2-ylbenzene;2-methyl-3-propan-2-ylphenol
CID 159173733
2-[(1Z)-buta-1,3-dienyl]-1-methyl-3-propan-2-ylbenzene;ethane
CID 142171523
dimethyl-[1-(2-methylphenyl)prop-2-enyl]-phenylsilane
CID 78155432
1,2-dimethyl-3-[(E)-4-phenylbut-3-en-2-yl]benzene
CID 18968341

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-propan-2-ylbenzene;7-propan-2-ylpyrazolo[1,5-a]pyridine;prop-1-ene?
The IUPAC name of 1,2-dimethyl-3-propan-2-ylbenzene;7-propan-2-ylpyrazolo[1,5-a]pyridine;prop-1-ene (CID 165135879) is 1,2-dimethyl-3-propan-2-ylbenzene;7-propan-2-ylpyrazolo[1,5-a]pyridine;prop-1-ene.
What is the SMILES notation for 1,2-dimethyl-3-propan-2-ylbenzene;7-propan-2-ylpyrazolo[1,5-a]pyridine;prop-1-ene?
The canonical SMILES for 1,2-dimethyl-3-propan-2-ylbenzene;7-propan-2-ylpyrazolo[1,5-a]pyridine;prop-1-ene is C=CC.CC(C)c1cccc2ccnn12.Cc1cccc(C(C)C)c1C.
What is the InChIKey of 1,2-dimethyl-3-propan-2-ylbenzene;7-propan-2-ylpyrazolo[1,5-a]pyridine;prop-1-ene?
The InChIKey is OMPNWPJAUUESJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16.C10H12N2.C3H6/c1-8(2)11-7-5-6-9(3)10(11)4;1-8(2)10-5-3-4-9-6-7-11-12(9)10;1-3-2/h5-8H,1-4H3;3-8H,1-2H3;3H,1H2,2H3.
What are the key properties of 1,2-dimethyl-3-propan-2-ylbenzene;7-propan-2-ylpyrazolo[1,5-a]pyridine;prop-1-ene?
1,2-dimethyl-3-propan-2-ylbenzene;7-propan-2-ylpyrazolo[1,5-a]pyridine;prop-1-ene has a molecular weight of 350.55 g/mol, XLogP of 7.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-propan-2-ylbenzene;7-propan-2-ylpyrazolo[1,5-a]pyridine;prop-1-ene is sourced from PubChem (CID 165135879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).