4-[(3-chlorophenyl)methoxy]-1-methylpyrazole

C11H11ClN2O — CID 86780819

IUPAC4-[(3-chlorophenyl)methoxy]-1-methylpyrazole
SMILESCn1cc(OCc2cccc(Cl)c2)cn1
InChIInChI=1S/C11H11ClN2O/c1-14-7-11(6-13-14)15-8-9-3-2-4-10(12)5-9/h2-7H,8H2,1H3
InChIKeyGLEGNIRIUXRAET-UHFFFAOYSA-N
MW222.68 g/mol
LogP2.65
Rot. Bonds3

About 4-[(3-chlorophenyl)methoxy]-1-methylpyrazole

4-[(3-chlorophenyl)methoxy]-1-methylpyrazole (PubChem CID 86780819) has the molecular formula C11H11ClN2O and a molecular weight of 222.68 g/mol. Its IUPAC name is 4-[(3-chlorophenyl)methoxy]-1-methylpyrazole.

Molecular Properties

Compound Name4-[(3-chlorophenyl)methoxy]-1-methylpyrazole
PubChem CID86780819
Molecular FormulaC11H11ClN2O
Molecular Weight222.68 g/mol
Exact Mass222.06
IUPAC Name4-[(3-chlorophenyl)methoxy]-1-methylpyrazole
SMILESCn1cc(OCc2cccc(Cl)c2)cn1
InChIInChI=1S/C11H11ClN2O/c1-14-7-11(6-13-14)15-8-9-3-2-4-10(12)5-9/h2-7H,8H2,1H3
InChIKeyGLEGNIRIUXRAET-UHFFFAOYSA-N
XLogP2.65
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-chlorophenyl)methoxy]-1-methylpyrazole?
The IUPAC name of 4-[(3-chlorophenyl)methoxy]-1-methylpyrazole (CID 86780819) is 4-[(3-chlorophenyl)methoxy]-1-methylpyrazole.
What is the SMILES notation for 4-[(3-chlorophenyl)methoxy]-1-methylpyrazole?
The canonical SMILES for 4-[(3-chlorophenyl)methoxy]-1-methylpyrazole is Cn1cc(OCc2cccc(Cl)c2)cn1.
What is the InChIKey of 4-[(3-chlorophenyl)methoxy]-1-methylpyrazole?
The InChIKey is GLEGNIRIUXRAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O/c1-14-7-11(6-13-14)15-8-9-3-2-4-10(12)5-9/h2-7H,8H2,1H3.
What are the key properties of 4-[(3-chlorophenyl)methoxy]-1-methylpyrazole?
4-[(3-chlorophenyl)methoxy]-1-methylpyrazole has a molecular weight of 222.68 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chlorophenyl)methoxy]-1-methylpyrazole is sourced from PubChem (CID 86780819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).