3-[4-[4-(1,5-dimethylpyrazol-3-yl)phenoxy]phenyl]-1,5-dimethylpyrazole

C22H22N4O — CID 22088070

IUPAC3-[4-[4-(1,5-dimethylpyrazol-3-yl)phenoxy]phenyl]-1,5-dimethylpyrazole
SMILESCc1cc(-c2ccc(Oc3ccc(-c4cc(C)n(C)n4)cc3)cc2)nn1C
InChIInChI=1S/C22H22N4O/c1-15-13-21(23-25(15)3)17-5-9-19(10-6-17)27-20-11-7-18(8-12-20)22-14-16(2)26(4)24-22/h5-14H,1-4H3
InChIKeyYENOYUUEHMLHEJ-UHFFFAOYSA-N
MW358.45 g/mol
LogP4.90
Rot. Bonds4

About 3-[4-[4-(1,5-dimethylpyrazol-3-yl)phenoxy]phenyl]-1,5-dimethylpyrazole

3-[4-[4-(1,5-dimethylpyrazol-3-yl)phenoxy]phenyl]-1,5-dimethylpyrazole (PubChem CID 22088070) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is 3-[4-[4-(1,5-dimethylpyrazol-3-yl)phenoxy]phenyl]-1,5-dimethylpyrazole.

Molecular Properties

Compound Name3-[4-[4-(1,5-dimethylpyrazol-3-yl)phenoxy]phenyl]-1,5-dimethylpyrazole
PubChem CID22088070
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC Name3-[4-[4-(1,5-dimethylpyrazol-3-yl)phenoxy]phenyl]-1,5-dimethylpyrazole
SMILESCc1cc(-c2ccc(Oc3ccc(-c4cc(C)n(C)n4)cc3)cc2)nn1C
InChIInChI=1S/C22H22N4O/c1-15-13-21(23-25(15)3)17-5-9-19(10-6-17)27-20-11-7-18(8-12-20)22-14-16(2)26(4)24-22/h5-14H,1-4H3
InChIKeyYENOYUUEHMLHEJ-UHFFFAOYSA-N
XLogP4.90
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[4-[4-(1,5-dimethylpyrazol-3-yl)phenoxy]phenyl]-1,5-dimethylpyrazole 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 3-[4-[4-(1,5-dimethylpyrazol-3-yl)phenoxy]phenyl]-1,5-dimethylpyrazole?
The IUPAC name of 3-[4-[4-(1,5-dimethylpyrazol-3-yl)phenoxy]phenyl]-1,5-dimethylpyrazole (CID 22088070) is 3-[4-[4-(1,5-dimethylpyrazol-3-yl)phenoxy]phenyl]-1,5-dimethylpyrazole.
What is the SMILES notation for 3-[4-[4-(1,5-dimethylpyrazol-3-yl)phenoxy]phenyl]-1,5-dimethylpyrazole?
The canonical SMILES for 3-[4-[4-(1,5-dimethylpyrazol-3-yl)phenoxy]phenyl]-1,5-dimethylpyrazole is Cc1cc(-c2ccc(Oc3ccc(-c4cc(C)n(C)n4)cc3)cc2)nn1C.
What is the InChIKey of 3-[4-[4-(1,5-dimethylpyrazol-3-yl)phenoxy]phenyl]-1,5-dimethylpyrazole?
The InChIKey is YENOYUUEHMLHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c1-15-13-21(23-25(15)3)17-5-9-19(10-6-17)27-20-11-7-18(8-12-20)22-14-16(2)26(4)24-22/h5-14H,1-4H3.
What are the key properties of 3-[4-[4-(1,5-dimethylpyrazol-3-yl)phenoxy]phenyl]-1,5-dimethylpyrazole?
3-[4-[4-(1,5-dimethylpyrazol-3-yl)phenoxy]phenyl]-1,5-dimethylpyrazole has a molecular weight of 358.45 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(1,5-dimethylpyrazol-3-yl)phenoxy]phenyl]-1,5-dimethylpyrazole is sourced from PubChem (CID 22088070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).