4-(3-chlorophenoxy)-1-(4-methoxyphenyl)pyrazole

C16H13ClN2O2 — CID 117229414

IUPAC4-(3-chlorophenoxy)-1-(4-methoxyphenyl)pyrazole
SMILESCOc1ccc(-n2cc(Oc3cccc(Cl)c3)cn2)cc1
InChIInChI=1S/C16H13ClN2O2/c1-20-14-7-5-13(6-8-14)19-11-16(10-18-19)21-15-4-2-3-12(17)9-15/h2-11H,1H3
InChIKeyDVGBQMJBYGIMBV-UHFFFAOYSA-N
MW300.75 g/mol
LogP4.33
Rot. Bonds4

About 4-(3-chlorophenoxy)-1-(4-methoxyphenyl)pyrazole

4-(3-chlorophenoxy)-1-(4-methoxyphenyl)pyrazole (PubChem CID 117229414) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is 4-(3-chlorophenoxy)-1-(4-methoxyphenyl)pyrazole.

Molecular Properties

Compound Name4-(3-chlorophenoxy)-1-(4-methoxyphenyl)pyrazole
PubChem CID117229414
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC Name4-(3-chlorophenoxy)-1-(4-methoxyphenyl)pyrazole
SMILESCOc1ccc(-n2cc(Oc3cccc(Cl)c3)cn2)cc1
InChIInChI=1S/C16H13ClN2O2/c1-20-14-7-5-13(6-8-14)19-11-16(10-18-19)21-15-4-2-3-12(17)9-15/h2-11H,1H3
InChIKeyDVGBQMJBYGIMBV-UHFFFAOYSA-N
XLogP4.33
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(3-chlorophenoxy)-1-(4-methoxyphenyl)pyrazole with MolForge

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

Launch Full Analysis

Related Compounds

4-(3-chlorophenoxy)-1-(3-chlorophenyl)pyrazole
CID 117229383
4-(4-methoxyphenoxy)-1-(3-methoxyphenyl)pyrazole
CID 117229524
3-[1-(4-chlorophenyl)pyrazol-4-yl]oxyphenol
CID 117229418
1-(4-chlorophenyl)-4-(4-methylphenoxy)pyrazole
CID 117229529
1-tert-butyl-4-(3-chlorophenoxy)pyrazole
CID 117229451
4-(3-chlorophenyl)-1-(4-ethoxyphenyl)pyrazole
CID 107958442
4-methoxy-1-(4-methylphenyl)pyrazole
CID 117229729
3-(3-chlorophenoxy)-5-methoxyaniline
CID 80748712
1-(4-fluorophenyl)-4-methoxypyrazole
CID 117229730
4-(4-methoxypyrazol-1-yl)phenol
CID 88996321
3-(3-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-amine
CID 83204335
3-(3-chlorophenyl)-1-(4-methoxyphenyl)-4-phenylpyrazole
CID 166447647

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenoxy)-1-(4-methoxyphenyl)pyrazole?
The IUPAC name of 4-(3-chlorophenoxy)-1-(4-methoxyphenyl)pyrazole (CID 117229414) is 4-(3-chlorophenoxy)-1-(4-methoxyphenyl)pyrazole.
What is the SMILES notation for 4-(3-chlorophenoxy)-1-(4-methoxyphenyl)pyrazole?
The canonical SMILES for 4-(3-chlorophenoxy)-1-(4-methoxyphenyl)pyrazole is COc1ccc(-n2cc(Oc3cccc(Cl)c3)cn2)cc1.
What is the InChIKey of 4-(3-chlorophenoxy)-1-(4-methoxyphenyl)pyrazole?
The InChIKey is DVGBQMJBYGIMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2/c1-20-14-7-5-13(6-8-14)19-11-16(10-18-19)21-15-4-2-3-12(17)9-15/h2-11H,1H3.
What are the key properties of 4-(3-chlorophenoxy)-1-(4-methoxyphenyl)pyrazole?
4-(3-chlorophenoxy)-1-(4-methoxyphenyl)pyrazole has a molecular weight of 300.75 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenoxy)-1-(4-methoxyphenyl)pyrazole is sourced from PubChem (CID 117229414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).