1-(2-chlorophenyl)-4-(3-methylphenoxy)pyrazole

C16H13ClN2O — CID 117229343

IUPAC1-(2-chlorophenyl)-4-(3-methylphenoxy)pyrazole
SMILESCc1cccc(Oc2cnn(-c3ccccc3Cl)c2)c1
InChIInChI=1S/C16H13ClN2O/c1-12-5-4-6-13(9-12)20-14-10-18-19(11-14)16-8-3-2-7-15(16)17/h2-11H,1H3
InChIKeyGVHYFGLJWUCDSC-UHFFFAOYSA-N
MW284.75 g/mol
LogP4.63
Rot. Bonds3

About 1-(2-chlorophenyl)-4-(3-methylphenoxy)pyrazole

1-(2-chlorophenyl)-4-(3-methylphenoxy)pyrazole (PubChem CID 117229343) has the molecular formula C16H13ClN2O and a molecular weight of 284.75 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-4-(3-methylphenoxy)pyrazole.

Molecular Properties

Compound Name1-(2-chlorophenyl)-4-(3-methylphenoxy)pyrazole
PubChem CID117229343
Molecular FormulaC16H13ClN2O
Molecular Weight284.75 g/mol
Exact Mass284.07
IUPAC Name1-(2-chlorophenyl)-4-(3-methylphenoxy)pyrazole
SMILESCc1cccc(Oc2cnn(-c3ccccc3Cl)c2)c1
InChIInChI=1S/C16H13ClN2O/c1-12-5-4-6-13(9-12)20-14-10-18-19(11-14)16-8-3-2-7-15(16)17/h2-11H,1H3
InChIKeyGVHYFGLJWUCDSC-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 1-(2-chlorophenyl)-4-(3-methylphenoxy)pyrazole?
The IUPAC name of 1-(2-chlorophenyl)-4-(3-methylphenoxy)pyrazole (CID 117229343) is 1-(2-chlorophenyl)-4-(3-methylphenoxy)pyrazole.
What is the SMILES notation for 1-(2-chlorophenyl)-4-(3-methylphenoxy)pyrazole?
The canonical SMILES for 1-(2-chlorophenyl)-4-(3-methylphenoxy)pyrazole is Cc1cccc(Oc2cnn(-c3ccccc3Cl)c2)c1.
What is the InChIKey of 1-(2-chlorophenyl)-4-(3-methylphenoxy)pyrazole?
The InChIKey is GVHYFGLJWUCDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O/c1-12-5-4-6-13(9-12)20-14-10-18-19(11-14)16-8-3-2-7-15(16)17/h2-11H,1H3.
What are the key properties of 1-(2-chlorophenyl)-4-(3-methylphenoxy)pyrazole?
1-(2-chlorophenyl)-4-(3-methylphenoxy)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 1-(2-chlorophenyl)-4-(3-methylphenoxy)pyrazole is sourced from PubChem (CID 117229343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).