ethane;3-methylfuran;5-methyl-1H-pyrazole

C11H18N2O — CID 145132684

IUPACethane;3-methylfuran;5-methyl-1H-pyrazole
SMILESCC.Cc1ccn[nH]1.Cc1ccoc1
InChIInChI=1S/C5H6O.C4H6N2.C2H6/c1-5-2-3-6-4-5;1-4-2-3-5-6-4;1-2/h2-4H,1H3;2-3H,1H3,(H,5,6);1-2H3
InChIKeyYYPHCVXQGHNPBH-UHFFFAOYSA-N
MW194.28 g/mol
LogP3.33
Rot. Bonds

About ethane;3-methylfuran;5-methyl-1H-pyrazole

ethane;3-methylfuran;5-methyl-1H-pyrazole (PubChem CID 145132684) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is ethane;3-methylfuran;5-methyl-1H-pyrazole.

Molecular Properties

Compound Nameethane;3-methylfuran;5-methyl-1H-pyrazole
PubChem CID145132684
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Nameethane;3-methylfuran;5-methyl-1H-pyrazole
SMILESCC.Cc1ccn[nH]1.Cc1ccoc1
InChIInChI=1S/C5H6O.C4H6N2.C2H6/c1-5-2-3-6-4-5;1-4-2-3-5-6-4;1-2/h2-4H,1H3;2-3H,1H3,(H,5,6);1-2H3
InChIKeyYYPHCVXQGHNPBH-UHFFFAOYSA-N
XLogP3.33
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;3-methylfuran;5-methyl-1H-pyrazole?
The IUPAC name of ethane;3-methylfuran;5-methyl-1H-pyrazole (CID 145132684) is ethane;3-methylfuran;5-methyl-1H-pyrazole.
What is the SMILES notation for ethane;3-methylfuran;5-methyl-1H-pyrazole?
The canonical SMILES for ethane;3-methylfuran;5-methyl-1H-pyrazole is CC.Cc1ccn[nH]1.Cc1ccoc1.
What is the InChIKey of ethane;3-methylfuran;5-methyl-1H-pyrazole?
The InChIKey is YYPHCVXQGHNPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O.C4H6N2.C2H6/c1-5-2-3-6-4-5;1-4-2-3-5-6-4;1-2/h2-4H,1H3;2-3H,1H3,(H,5,6);1-2H3.
What are the key properties of ethane;3-methylfuran;5-methyl-1H-pyrazole?
ethane;3-methylfuran;5-methyl-1H-pyrazole has a molecular weight of 194.28 g/mol, XLogP of 3.33, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methylfuran;5-methyl-1H-pyrazole is sourced from PubChem (CID 145132684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).