ethane;4-methyl-1-phenylmethoxypyrazole

C13H18N2O — CID 168886623

IUPACethane;4-methyl-1-phenylmethoxypyrazole
SMILESCC.Cc1cnn(OCc2ccccc2)c1
InChIInChI=1S/C11H12N2O.C2H6/c1-10-7-12-13(8-10)14-9-11-5-3-2-4-6-11;1-2/h2-8H,9H2,1H3;1-2H3
InChIKeyYBJAAFQVRNKRPR-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.85
Rot. Bonds3

About ethane;4-methyl-1-phenylmethoxypyrazole

ethane;4-methyl-1-phenylmethoxypyrazole (PubChem CID 168886623) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is ethane;4-methyl-1-phenylmethoxypyrazole.

Molecular Properties

Compound Nameethane;4-methyl-1-phenylmethoxypyrazole
PubChem CID168886623
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Nameethane;4-methyl-1-phenylmethoxypyrazole
SMILESCC.Cc1cnn(OCc2ccccc2)c1
InChIInChI=1S/C11H12N2O.C2H6/c1-10-7-12-13(8-10)14-9-11-5-3-2-4-6-11;1-2/h2-8H,9H2,1H3;1-2H3
InChIKeyYBJAAFQVRNKRPR-UHFFFAOYSA-N
XLogP2.85
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-1-phenylmethoxypyrazole?
The IUPAC name of ethane;4-methyl-1-phenylmethoxypyrazole (CID 168886623) is ethane;4-methyl-1-phenylmethoxypyrazole.
What is the SMILES notation for ethane;4-methyl-1-phenylmethoxypyrazole?
The canonical SMILES for ethane;4-methyl-1-phenylmethoxypyrazole is CC.Cc1cnn(OCc2ccccc2)c1.
What is the InChIKey of ethane;4-methyl-1-phenylmethoxypyrazole?
The InChIKey is YBJAAFQVRNKRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O.C2H6/c1-10-7-12-13(8-10)14-9-11-5-3-2-4-6-11;1-2/h2-8H,9H2,1H3;1-2H3.
What are the key properties of ethane;4-methyl-1-phenylmethoxypyrazole?
ethane;4-methyl-1-phenylmethoxypyrazole has a molecular weight of 218.30 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-1-phenylmethoxypyrazole is sourced from PubChem (CID 168886623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).