3-ethyl-1-phenyl-6-(4-pyrrolidin-3-ylphenyl)indazole

C25H25N3 — CID 58483583

IUPAC3-ethyl-1-phenyl-6-(4-pyrrolidin-3-ylphenyl)indazole
SMILESCCc1nn(-c2ccccc2)c2cc(-c3ccc(C4CCNC4)cc3)ccc12
InChIInChI=1S/C25H25N3/c1-2-24-23-13-12-20(16-25(23)28(27-24)22-6-4-3-5-7-22)18-8-10-19(11-9-18)21-14-15-26-17-21/h3-13,16,21,26H,2,14-15,17H2,1H3
InChIKeyUSYFUDSWWLXJIZ-UHFFFAOYSA-N
MW367.50 g/mol
LogP5.33
Rot. Bonds4

About 3-ethyl-1-phenyl-6-(4-pyrrolidin-3-ylphenyl)indazole

3-ethyl-1-phenyl-6-(4-pyrrolidin-3-ylphenyl)indazole (PubChem CID 58483583) has the molecular formula C25H25N3 and a molecular weight of 367.50 g/mol. Its IUPAC name is 3-ethyl-1-phenyl-6-(4-pyrrolidin-3-ylphenyl)indazole.

Molecular Properties

Compound Name3-ethyl-1-phenyl-6-(4-pyrrolidin-3-ylphenyl)indazole
PubChem CID58483583
Molecular FormulaC25H25N3
Molecular Weight367.50 g/mol
Exact Mass367.20
IUPAC Name3-ethyl-1-phenyl-6-(4-pyrrolidin-3-ylphenyl)indazole
SMILESCCc1nn(-c2ccccc2)c2cc(-c3ccc(C4CCNC4)cc3)ccc12
InChIInChI=1S/C25H25N3/c1-2-24-23-13-12-20(16-25(23)28(27-24)22-6-4-3-5-7-22)18-8-10-19(11-9-18)21-14-15-26-17-21/h3-13,16,21,26H,2,14-15,17H2,1H3
InChIKeyUSYFUDSWWLXJIZ-UHFFFAOYSA-N
XLogP5.33
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.50
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-phenyl-6-(4-pyrrolidin-3-ylphenyl)indazole?
The IUPAC name of 3-ethyl-1-phenyl-6-(4-pyrrolidin-3-ylphenyl)indazole (CID 58483583) is 3-ethyl-1-phenyl-6-(4-pyrrolidin-3-ylphenyl)indazole.
What is the SMILES notation for 3-ethyl-1-phenyl-6-(4-pyrrolidin-3-ylphenyl)indazole?
The canonical SMILES for 3-ethyl-1-phenyl-6-(4-pyrrolidin-3-ylphenyl)indazole is CCc1nn(-c2ccccc2)c2cc(-c3ccc(C4CCNC4)cc3)ccc12.
What is the InChIKey of 3-ethyl-1-phenyl-6-(4-pyrrolidin-3-ylphenyl)indazole?
The InChIKey is USYFUDSWWLXJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3/c1-2-24-23-13-12-20(16-25(23)28(27-24)22-6-4-3-5-7-22)18-8-10-19(11-9-18)21-14-15-26-17-21/h3-13,16,21,26H,2,14-15,17H2,1H3.
What are the key properties of 3-ethyl-1-phenyl-6-(4-pyrrolidin-3-ylphenyl)indazole?
3-ethyl-1-phenyl-6-(4-pyrrolidin-3-ylphenyl)indazole has a molecular weight of 367.50 g/mol, XLogP of 5.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-phenyl-6-(4-pyrrolidin-3-ylphenyl)indazole is sourced from PubChem (CID 58483583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).