5-[2-(3-ethylphenyl)-3-pyridinyl]-1H-indazole

C20H17N3 — CID 90095205

IUPAC5-[2-(3-ethylphenyl)-3-pyridinyl]-1H-indazole
SMILESCCc1cccc(-c2ncccc2-c2ccc3[nH]ncc3c2)c1
InChIInChI=1S/C20H17N3/c1-2-14-5-3-6-16(11-14)20-18(7-4-10-21-20)15-8-9-19-17(12-15)13-22-23-19/h3-13H,2H2,1H3,(H,22,23)
InChIKeyRJPUDGJCJHXNMF-UHFFFAOYSA-N
MW299.38 g/mol
LogP4.85
Rot. Bonds3

About 5-[2-(3-ethylphenyl)-3-pyridinyl]-1H-indazole

5-[2-(3-ethylphenyl)-3-pyridinyl]-1H-indazole (PubChem CID 90095205) has the molecular formula C20H17N3 and a molecular weight of 299.38 g/mol. Its IUPAC name is 5-[2-(3-ethylphenyl)-3-pyridinyl]-1H-indazole.

Molecular Properties

Compound Name5-[2-(3-ethylphenyl)-3-pyridinyl]-1H-indazole
PubChem CID90095205
Molecular FormulaC20H17N3
Molecular Weight299.38 g/mol
Exact Mass299.14
IUPAC Name5-[2-(3-ethylphenyl)-3-pyridinyl]-1H-indazole
SMILESCCc1cccc(-c2ncccc2-c2ccc3[nH]ncc3c2)c1
InChIInChI=1S/C20H17N3/c1-2-14-5-3-6-16(11-14)20-18(7-4-10-21-20)15-8-9-19-17(12-15)13-22-23-19/h3-13H,2H2,1H3,(H,22,23)
InChIKeyRJPUDGJCJHXNMF-UHFFFAOYSA-N
XLogP4.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-ethylphenyl)-3-pyridinyl]-1H-indazole?
The IUPAC name of 5-[2-(3-ethylphenyl)-3-pyridinyl]-1H-indazole (CID 90095205) is 5-[2-(3-ethylphenyl)-3-pyridinyl]-1H-indazole.
What is the SMILES notation for 5-[2-(3-ethylphenyl)-3-pyridinyl]-1H-indazole?
The canonical SMILES for 5-[2-(3-ethylphenyl)-3-pyridinyl]-1H-indazole is CCc1cccc(-c2ncccc2-c2ccc3[nH]ncc3c2)c1.
What is the InChIKey of 5-[2-(3-ethylphenyl)-3-pyridinyl]-1H-indazole?
The InChIKey is RJPUDGJCJHXNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3/c1-2-14-5-3-6-16(11-14)20-18(7-4-10-21-20)15-8-9-19-17(12-15)13-22-23-19/h3-13H,2H2,1H3,(H,22,23).
What are the key properties of 5-[2-(3-ethylphenyl)-3-pyridinyl]-1H-indazole?
5-[2-(3-ethylphenyl)-3-pyridinyl]-1H-indazole has a molecular weight of 299.38 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-ethylphenyl)-3-pyridinyl]-1H-indazole is sourced from PubChem (CID 90095205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).