4-[4-(4-chlorophenoxy)phenyl]-1H-pyrazole

C15H11ClN2O — CID 118191758

IUPAC4-[4-(4-chlorophenoxy)phenyl]-1H-pyrazole
SMILESClc1ccc(Oc2ccc(-c3cn[nH]c3)cc2)cc1
InChIInChI=1S/C15H11ClN2O/c16-13-3-7-15(8-4-13)19-14-5-1-11(2-6-14)12-9-17-18-10-12/h1-10H,(H,17,18)
InChIKeyJOGOIDSWZWPMNS-UHFFFAOYSA-N
MW270.72 g/mol
LogP4.52
Rot. Bonds3

About 4-[4-(4-chlorophenoxy)phenyl]-1H-pyrazole

4-[4-(4-chlorophenoxy)phenyl]-1H-pyrazole (PubChem CID 118191758) has the molecular formula C15H11ClN2O and a molecular weight of 270.72 g/mol. Its IUPAC name is 4-[4-(4-chlorophenoxy)phenyl]-1H-pyrazole.

Molecular Properties

Compound Name4-[4-(4-chlorophenoxy)phenyl]-1H-pyrazole
PubChem CID118191758
Molecular FormulaC15H11ClN2O
Molecular Weight270.72 g/mol
Exact Mass270.06
IUPAC Name4-[4-(4-chlorophenoxy)phenyl]-1H-pyrazole
SMILESClc1ccc(Oc2ccc(-c3cn[nH]c3)cc2)cc1
InChIInChI=1S/C15H11ClN2O/c16-13-3-7-15(8-4-13)19-14-5-1-11(2-6-14)12-9-17-18-10-12/h1-10H,(H,17,18)
InChIKeyJOGOIDSWZWPMNS-UHFFFAOYSA-N
XLogP4.52
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[4-(4-chlorophenoxy)phenyl]-1H-pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chlorophenoxy)phenyl]-1H-pyrazole?
The IUPAC name of 4-[4-(4-chlorophenoxy)phenyl]-1H-pyrazole (CID 118191758) is 4-[4-(4-chlorophenoxy)phenyl]-1H-pyrazole.
What is the SMILES notation for 4-[4-(4-chlorophenoxy)phenyl]-1H-pyrazole?
The canonical SMILES for 4-[4-(4-chlorophenoxy)phenyl]-1H-pyrazole is Clc1ccc(Oc2ccc(-c3cn[nH]c3)cc2)cc1.
What is the InChIKey of 4-[4-(4-chlorophenoxy)phenyl]-1H-pyrazole?
The InChIKey is JOGOIDSWZWPMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O/c16-13-3-7-15(8-4-13)19-14-5-1-11(2-6-14)12-9-17-18-10-12/h1-10H,(H,17,18).
What are the key properties of 4-[4-(4-chlorophenoxy)phenyl]-1H-pyrazole?
4-[4-(4-chlorophenoxy)phenyl]-1H-pyrazole has a molecular weight of 270.72 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorophenoxy)phenyl]-1H-pyrazole is sourced from PubChem (CID 118191758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).