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

C16H13ClN2O — CID 117229529

IUPAC1-(4-chlorophenyl)-4-(4-methylphenoxy)pyrazole
SMILESCc1ccc(Oc2cnn(-c3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C16H13ClN2O/c1-12-2-8-15(9-3-12)20-16-10-18-19(11-16)14-6-4-13(17)5-7-14/h2-11H,1H3
InChIKeyRBBLCVOVZHAWRV-UHFFFAOYSA-N
MW284.75 g/mol
LogP4.63
Rot. Bonds3

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

1-(4-chlorophenyl)-4-(4-methylphenoxy)pyrazole (PubChem CID 117229529) has the molecular formula C16H13ClN2O and a molecular weight of 284.75 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-(4-methylphenoxy)pyrazole.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-(4-methylphenoxy)pyrazole
PubChem CID117229529
Molecular FormulaC16H13ClN2O
Molecular Weight284.75 g/mol
Exact Mass284.07
IUPAC Name1-(4-chlorophenyl)-4-(4-methylphenoxy)pyrazole
SMILESCc1ccc(Oc2cnn(-c3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C16H13ClN2O/c1-12-2-8-15(9-3-12)20-16-10-18-19(11-16)14-6-4-13(17)5-7-14/h2-11H,1H3
InChIKeyRBBLCVOVZHAWRV-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-(4-chlorophenyl)-4-(4-methylphenoxy)pyrazole?
The IUPAC name of 1-(4-chlorophenyl)-4-(4-methylphenoxy)pyrazole (CID 117229529) is 1-(4-chlorophenyl)-4-(4-methylphenoxy)pyrazole.
What is the SMILES notation for 1-(4-chlorophenyl)-4-(4-methylphenoxy)pyrazole?
The canonical SMILES for 1-(4-chlorophenyl)-4-(4-methylphenoxy)pyrazole is Cc1ccc(Oc2cnn(-c3ccc(Cl)cc3)c2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-4-(4-methylphenoxy)pyrazole?
The InChIKey is RBBLCVOVZHAWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O/c1-12-2-8-15(9-3-12)20-16-10-18-19(11-16)14-6-4-13(17)5-7-14/h2-11H,1H3.
What are the key properties of 1-(4-chlorophenyl)-4-(4-methylphenoxy)pyrazole?
1-(4-chlorophenyl)-4-(4-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-(4-chlorophenyl)-4-(4-methylphenoxy)pyrazole is sourced from PubChem (CID 117229529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).