3-methyl-5-[2-(5-methyl-2-phenylpyrazol-3-yl)oxyethoxy]-1-phenylpyrazole

C22H22N4O2 — CID 78427164

IUPAC3-methyl-5-[2-(5-methyl-2-phenylpyrazol-3-yl)oxyethoxy]-1-phenylpyrazole
SMILESCc1cc(OCCOc2cc(C)nn2-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C22H22N4O2/c1-17-15-21(25(23-17)19-9-5-3-6-10-19)27-13-14-28-22-16-18(2)24-26(22)20-11-7-4-8-12-20/h3-12,15-16H,13-14H2,1-2H3
InChIKeyHJLKXFNJURETHS-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.13
Rot. Bonds7

About 3-methyl-5-[2-(5-methyl-2-phenylpyrazol-3-yl)oxyethoxy]-1-phenylpyrazole

3-methyl-5-[2-(5-methyl-2-phenylpyrazol-3-yl)oxyethoxy]-1-phenylpyrazole (PubChem CID 78427164) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 3-methyl-5-[2-(5-methyl-2-phenylpyrazol-3-yl)oxyethoxy]-1-phenylpyrazole.

Molecular Properties

Compound Name3-methyl-5-[2-(5-methyl-2-phenylpyrazol-3-yl)oxyethoxy]-1-phenylpyrazole
PubChem CID78427164
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name3-methyl-5-[2-(5-methyl-2-phenylpyrazol-3-yl)oxyethoxy]-1-phenylpyrazole
SMILESCc1cc(OCCOc2cc(C)nn2-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C22H22N4O2/c1-17-15-21(25(23-17)19-9-5-3-6-10-19)27-13-14-28-22-16-18(2)24-26(22)20-11-7-4-8-12-20/h3-12,15-16H,13-14H2,1-2H3
InChIKeyHJLKXFNJURETHS-UHFFFAOYSA-N
XLogP4.13
TPSA54.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-methyl-5-[2-(5-methyl-2-phenylpyrazol-3-yl)oxyethoxy]-1-phenylpyrazole 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-methyl-5-[2-(5-methyl-2-phenylpyrazol-3-yl)oxyethoxy]-1-phenylpyrazole?
The IUPAC name of 3-methyl-5-[2-(5-methyl-2-phenylpyrazol-3-yl)oxyethoxy]-1-phenylpyrazole (CID 78427164) is 3-methyl-5-[2-(5-methyl-2-phenylpyrazol-3-yl)oxyethoxy]-1-phenylpyrazole.
What is the SMILES notation for 3-methyl-5-[2-(5-methyl-2-phenylpyrazol-3-yl)oxyethoxy]-1-phenylpyrazole?
The canonical SMILES for 3-methyl-5-[2-(5-methyl-2-phenylpyrazol-3-yl)oxyethoxy]-1-phenylpyrazole is Cc1cc(OCCOc2cc(C)nn2-c2ccccc2)n(-c2ccccc2)n1.
What is the InChIKey of 3-methyl-5-[2-(5-methyl-2-phenylpyrazol-3-yl)oxyethoxy]-1-phenylpyrazole?
The InChIKey is HJLKXFNJURETHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-17-15-21(25(23-17)19-9-5-3-6-10-19)27-13-14-28-22-16-18(2)24-26(22)20-11-7-4-8-12-20/h3-12,15-16H,13-14H2,1-2H3.
What are the key properties of 3-methyl-5-[2-(5-methyl-2-phenylpyrazol-3-yl)oxyethoxy]-1-phenylpyrazole?
3-methyl-5-[2-(5-methyl-2-phenylpyrazol-3-yl)oxyethoxy]-1-phenylpyrazole has a molecular weight of 374.44 g/mol, XLogP of 4.13, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[2-(5-methyl-2-phenylpyrazol-3-yl)oxyethoxy]-1-phenylpyrazole is sourced from PubChem (CID 78427164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).