2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylthiophene;bis(5-propan-2-yl-1H-pyrazole)

C28H44N4OS — CID 167658944

IUPAC2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylthiophene;bis(5-propan-2-yl-1H-pyrazole)
SMILESCC(C)c1ccn[nH]1.CC(C)c1ccn[nH]1.Cc1ccc(C(C)C)o1.Cc1ccc(C(C)C)s1
InChIInChI=1S/C8H12O.C8H12S.2C6H10N2/c2*1-6(2)8-5-4-7(3)9-8;2*1-5(2)6-3-4-7-8-6/h2*4-6H,1-3H3;2*3-5H,1-2H3,(H,7,8)
InChIKeyRRDCXSMAMBCUOS-UHFFFAOYSA-N
MW484.75 g/mol
LogP8.96
Rot. Bonds4

About 2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylthiophene;bis(5-propan-2-yl-1H-pyrazole)

2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylthiophene;bis(5-propan-2-yl-1H-pyrazole) (PubChem CID 167658944) has the molecular formula C28H44N4OS and a molecular weight of 484.75 g/mol. Its IUPAC name is 2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylthiophene;bis(5-propan-2-yl-1H-pyrazole).

Molecular Properties

Compound Name2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylthiophene;bis(5-propan-2-yl-1H-pyrazole)
PubChem CID167658944
Molecular FormulaC28H44N4OS
Molecular Weight484.75 g/mol
Exact Mass484.32
IUPAC Name2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylthiophene;bis(5-propan-2-yl-1H-pyrazole)
SMILESCC(C)c1ccn[nH]1.CC(C)c1ccn[nH]1.Cc1ccc(C(C)C)o1.Cc1ccc(C(C)C)s1
InChIInChI=1S/C8H12O.C8H12S.2C6H10N2/c2*1-6(2)8-5-4-7(3)9-8;2*1-5(2)6-3-4-7-8-6/h2*4-6H,1-3H3;2*3-5H,1-2H3,(H,7,8)
InChIKeyRRDCXSMAMBCUOS-UHFFFAOYSA-N
XLogP8.96
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.75
LogP ≤ 58.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(5-methylfuran-2-yl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine
CID 60971542
5-(1-fluoroethyl)-1H-pyrazole
CID 147386322
2,5-di(propan-2-yl)thiophene
CID 6429946
2-[(2-ethynyl-5-fluorophenyl)-(5-methylthiophen-2-yl)methyl]-5-methylfuran
CID 102442319
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine
CID 54881873
1-[3-(5-methylfuran-2-yl)butyl]-4-(1H-pyrazol-5-yl)piperidine
CID 74236751
2-methyl-5-[(2S)-3-methylbutan-2-yl]furan
CID 59302907
(5-chlorothiophen-2-yl)-(1H-pyrazol-5-yl)methanamine
CID 82236048
N-[1-(5-methylfuran-2-yl)ethyl]piperidin-4-amine
CID 61016786
N-[1-(5-methylfuran-2-yl)ethyl]cyclopentanamine
CID 43177408
1-(5-methylfuran-2-yl)-2-pyridin-4-ylpropan-1-amine
CID 66447737
(5-methylfuran-2-yl) hypofluorite
CID 143087256

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylthiophene;bis(5-propan-2-yl-1H-pyrazole)?
The IUPAC name of 2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylthiophene;bis(5-propan-2-yl-1H-pyrazole) (CID 167658944) is 2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylthiophene;bis(5-propan-2-yl-1H-pyrazole).
What is the SMILES notation for 2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylthiophene;bis(5-propan-2-yl-1H-pyrazole)?
The canonical SMILES for 2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylthiophene;bis(5-propan-2-yl-1H-pyrazole) is CC(C)c1ccn[nH]1.CC(C)c1ccn[nH]1.Cc1ccc(C(C)C)o1.Cc1ccc(C(C)C)s1.
What is the InChIKey of 2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylthiophene;bis(5-propan-2-yl-1H-pyrazole)?
The InChIKey is RRDCXSMAMBCUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O.C8H12S.2C6H10N2/c2*1-6(2)8-5-4-7(3)9-8;2*1-5(2)6-3-4-7-8-6/h2*4-6H,1-3H3;2*3-5H,1-2H3,(H,7,8).
What are the key properties of 2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylthiophene;bis(5-propan-2-yl-1H-pyrazole)?
2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylthiophene;bis(5-propan-2-yl-1H-pyrazole) has a molecular weight of 484.75 g/mol, XLogP of 8.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylthiophene;bis(5-propan-2-yl-1H-pyrazole) is sourced from PubChem (CID 167658944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).