3-phenyl-1-[2-[2-(3-phenylpyrazol-1-yl)ethoxy]ethyl]pyrazole

C22H22N4O — CID 11684541

IUPAC3-phenyl-1-[2-[2-(3-phenylpyrazol-1-yl)ethoxy]ethyl]pyrazole
SMILESc1ccc(-c2ccn(CCOCCn3ccc(-c4ccccc4)n3)n2)cc1
InChIInChI=1S/C22H22N4O/c1-3-7-19(8-4-1)21-11-13-25(23-21)15-17-27-18-16-26-14-12-22(24-26)20-9-5-2-6-10-20/h1-14H,15-18H2
InChIKeyAVHNKKHBFNQRGF-UHFFFAOYSA-N
MW358.45 g/mol
LogP4.13
Rot. Bonds8

About 3-phenyl-1-[2-[2-(3-phenylpyrazol-1-yl)ethoxy]ethyl]pyrazole

3-phenyl-1-[2-[2-(3-phenylpyrazol-1-yl)ethoxy]ethyl]pyrazole (PubChem CID 11684541) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is 3-phenyl-1-[2-[2-(3-phenylpyrazol-1-yl)ethoxy]ethyl]pyrazole.

Molecular Properties

Compound Name3-phenyl-1-[2-[2-(3-phenylpyrazol-1-yl)ethoxy]ethyl]pyrazole
PubChem CID11684541
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC Name3-phenyl-1-[2-[2-(3-phenylpyrazol-1-yl)ethoxy]ethyl]pyrazole
SMILESc1ccc(-c2ccn(CCOCCn3ccc(-c4ccccc4)n3)n2)cc1
InChIInChI=1S/C22H22N4O/c1-3-7-19(8-4-1)21-11-13-25(23-21)15-17-27-18-16-26-14-12-22(24-26)20-9-5-2-6-10-20/h1-14H,15-18H2
InChIKeyAVHNKKHBFNQRGF-UHFFFAOYSA-N
XLogP4.13
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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2-[(3-phenylpyrazol-1-yl)methyl]pyridine
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2-[3-(4-chlorophenyl)pyrazol-1-yl]ethanamine
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2-[(3-phenylpyrazol-1-yl)methyl]pyridin-3-amine
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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-[2-[2-(3-phenylpyrazol-1-yl)ethoxy]ethyl]pyrazole?
The IUPAC name of 3-phenyl-1-[2-[2-(3-phenylpyrazol-1-yl)ethoxy]ethyl]pyrazole (CID 11684541) is 3-phenyl-1-[2-[2-(3-phenylpyrazol-1-yl)ethoxy]ethyl]pyrazole.
What is the SMILES notation for 3-phenyl-1-[2-[2-(3-phenylpyrazol-1-yl)ethoxy]ethyl]pyrazole?
The canonical SMILES for 3-phenyl-1-[2-[2-(3-phenylpyrazol-1-yl)ethoxy]ethyl]pyrazole is c1ccc(-c2ccn(CCOCCn3ccc(-c4ccccc4)n3)n2)cc1.
What is the InChIKey of 3-phenyl-1-[2-[2-(3-phenylpyrazol-1-yl)ethoxy]ethyl]pyrazole?
The InChIKey is AVHNKKHBFNQRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c1-3-7-19(8-4-1)21-11-13-25(23-21)15-17-27-18-16-26-14-12-22(24-26)20-9-5-2-6-10-20/h1-14H,15-18H2.
What are the key properties of 3-phenyl-1-[2-[2-(3-phenylpyrazol-1-yl)ethoxy]ethyl]pyrazole?
3-phenyl-1-[2-[2-(3-phenylpyrazol-1-yl)ethoxy]ethyl]pyrazole has a molecular weight of 358.45 g/mol, XLogP of 4.13, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-[2-[2-(3-phenylpyrazol-1-yl)ethoxy]ethyl]pyrazole is sourced from PubChem (CID 11684541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).