ethane;5-methyl-1H-pyrazole;phenol

C14H24N2O — CID 90749173

IUPACethane;5-methyl-1H-pyrazole;phenol
SMILESCC.CC.Cc1ccn[nH]1.Oc1ccccc1
InChIInChI=1S/C6H6O.C4H6N2.2C2H6/c7-6-4-2-1-3-5-6;1-4-2-3-5-6-4;2*1-2/h1-5,7H;2-3H,1H3,(H,5,6);2*1-2H3
InChIKeyQUZXMSGDSHLXTD-UHFFFAOYSA-N
MW236.36 g/mol
LogP4.16
Rot. Bonds

About ethane;5-methyl-1H-pyrazole;phenol

ethane;5-methyl-1H-pyrazole;phenol (PubChem CID 90749173) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is ethane;5-methyl-1H-pyrazole;phenol.

Molecular Properties

Compound Nameethane;5-methyl-1H-pyrazole;phenol
PubChem CID90749173
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Nameethane;5-methyl-1H-pyrazole;phenol
SMILESCC.CC.Cc1ccn[nH]1.Oc1ccccc1
InChIInChI=1S/C6H6O.C4H6N2.2C2H6/c7-6-4-2-1-3-5-6;1-4-2-3-5-6-4;2*1-2/h1-5,7H;2-3H,1H3,(H,5,6);2*1-2H3
InChIKeyQUZXMSGDSHLXTD-UHFFFAOYSA-N
XLogP4.16
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 86138187
ethane;phenol
CID 161156308
2-methylprop-2-enoic acid;5-methyl-1H-pyrazole
CID 175313871
phenol;chloride
CID 23313261
phenol;bis(yttrium)
CID 59089942
phenol;propane;2H-triazole
CID 175597378
phenol;bis(yttrium);dihydrate
CID 168770922
ethane;5-methyl-1,2-oxazole;phenol
CID 91022926
CID 67496590
CID 67496590
phenol;tantalum
CID 19915613
CID 161001247
CID 161001247
molybdenum;phenol
CID 154246724

Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-1H-pyrazole;phenol?
The IUPAC name of ethane;5-methyl-1H-pyrazole;phenol (CID 90749173) is ethane;5-methyl-1H-pyrazole;phenol.
What is the SMILES notation for ethane;5-methyl-1H-pyrazole;phenol?
The canonical SMILES for ethane;5-methyl-1H-pyrazole;phenol is CC.CC.Cc1ccn[nH]1.Oc1ccccc1.
What is the InChIKey of ethane;5-methyl-1H-pyrazole;phenol?
The InChIKey is QUZXMSGDSHLXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O.C4H6N2.2C2H6/c7-6-4-2-1-3-5-6;1-4-2-3-5-6-4;2*1-2/h1-5,7H;2-3H,1H3,(H,5,6);2*1-2H3.
What are the key properties of ethane;5-methyl-1H-pyrazole;phenol?
ethane;5-methyl-1H-pyrazole;phenol has a molecular weight of 236.36 g/mol, XLogP of 4.16, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-1H-pyrazole;phenol is sourced from PubChem (CID 90749173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).