4-(4-chlorophenoxy)-1-(2-methylphenyl)pyrazole

C16H13ClN2O — CID 117229477

IUPAC4-(4-chlorophenoxy)-1-(2-methylphenyl)pyrazole
SMILESCc1ccccc1-n1cc(Oc2ccc(Cl)cc2)cn1
InChIInChI=1S/C16H13ClN2O/c1-12-4-2-3-5-16(12)19-11-15(10-18-19)20-14-8-6-13(17)7-9-14/h2-11H,1H3
InChIKeyDARABICPLJMHQO-UHFFFAOYSA-N
MW284.75 g/mol
LogP4.63
Rot. Bonds3

About 4-(4-chlorophenoxy)-1-(2-methylphenyl)pyrazole

4-(4-chlorophenoxy)-1-(2-methylphenyl)pyrazole (PubChem CID 117229477) has the molecular formula C16H13ClN2O and a molecular weight of 284.75 g/mol. Its IUPAC name is 4-(4-chlorophenoxy)-1-(2-methylphenyl)pyrazole.

Molecular Properties

Compound Name4-(4-chlorophenoxy)-1-(2-methylphenyl)pyrazole
PubChem CID117229477
Molecular FormulaC16H13ClN2O
Molecular Weight284.75 g/mol
Exact Mass284.07
IUPAC Name4-(4-chlorophenoxy)-1-(2-methylphenyl)pyrazole
SMILESCc1ccccc1-n1cc(Oc2ccc(Cl)cc2)cn1
InChIInChI=1S/C16H13ClN2O/c1-12-4-2-3-5-16(12)19-11-15(10-18-19)20-14-8-6-13(17)7-9-14/h2-11H,1H3
InChIKeyDARABICPLJMHQO-UHFFFAOYSA-N
XLogP4.63
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenoxy)-1-(2-methylphenyl)pyrazole?
The IUPAC name of 4-(4-chlorophenoxy)-1-(2-methylphenyl)pyrazole (CID 117229477) is 4-(4-chlorophenoxy)-1-(2-methylphenyl)pyrazole.
What is the SMILES notation for 4-(4-chlorophenoxy)-1-(2-methylphenyl)pyrazole?
The canonical SMILES for 4-(4-chlorophenoxy)-1-(2-methylphenyl)pyrazole is Cc1ccccc1-n1cc(Oc2ccc(Cl)cc2)cn1.
What is the InChIKey of 4-(4-chlorophenoxy)-1-(2-methylphenyl)pyrazole?
The InChIKey is DARABICPLJMHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O/c1-12-4-2-3-5-16(12)19-11-15(10-18-19)20-14-8-6-13(17)7-9-14/h2-11H,1H3.
What are the key properties of 4-(4-chlorophenoxy)-1-(2-methylphenyl)pyrazole?
4-(4-chlorophenoxy)-1-(2-methylphenyl)pyrazole has a molecular weight of 284.75 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenoxy)-1-(2-methylphenyl)pyrazole is sourced from PubChem (CID 117229477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).