7-propan-2-yl-1H-indazole;8-propan-2-ylindolizine

C21H25N3 — CID 170759933

IUPAC7-propan-2-yl-1H-indazole;8-propan-2-ylindolizine
SMILESCC(C)c1cccc2cn[nH]c12.CC(C)c1cccn2cccc12
InChIInChI=1S/C11H13N.C10H12N2/c1-9(2)10-5-3-7-12-8-4-6-11(10)12;1-7(2)9-5-3-4-8-6-11-12-10(8)9/h3-9H,1-2H3;3-7H,1-2H3,(H,11,12)
InChIKeyVSWMZKKIQHKYTO-UHFFFAOYSA-N
MW319.45 g/mol
LogP5.75
Rot. Bonds2

About 7-propan-2-yl-1H-indazole;8-propan-2-ylindolizine

7-propan-2-yl-1H-indazole;8-propan-2-ylindolizine (PubChem CID 170759933) has the molecular formula C21H25N3 and a molecular weight of 319.45 g/mol. Its IUPAC name is 7-propan-2-yl-1H-indazole;8-propan-2-ylindolizine.

Molecular Properties

Compound Name7-propan-2-yl-1H-indazole;8-propan-2-ylindolizine
PubChem CID170759933
Molecular FormulaC21H25N3
Molecular Weight319.45 g/mol
Exact Mass319.20
IUPAC Name7-propan-2-yl-1H-indazole;8-propan-2-ylindolizine
SMILESCC(C)c1cccc2cn[nH]c12.CC(C)c1cccn2cccc12
InChIInChI=1S/C11H13N.C10H12N2/c1-9(2)10-5-3-7-12-8-4-6-11(10)12;1-7(2)9-5-3-4-8-6-11-12-10(8)9/h3-9H,1-2H3;3-7H,1-2H3,(H,11,12)
InChIKeyVSWMZKKIQHKYTO-UHFFFAOYSA-N
XLogP5.75
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.45
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-propan-2-yl-1H-indazole;8-propan-2-ylindolizine?
The IUPAC name of 7-propan-2-yl-1H-indazole;8-propan-2-ylindolizine (CID 170759933) is 7-propan-2-yl-1H-indazole;8-propan-2-ylindolizine.
What is the SMILES notation for 7-propan-2-yl-1H-indazole;8-propan-2-ylindolizine?
The canonical SMILES for 7-propan-2-yl-1H-indazole;8-propan-2-ylindolizine is CC(C)c1cccc2cn[nH]c12.CC(C)c1cccn2cccc12.
What is the InChIKey of 7-propan-2-yl-1H-indazole;8-propan-2-ylindolizine?
The InChIKey is VSWMZKKIQHKYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N.C10H12N2/c1-9(2)10-5-3-7-12-8-4-6-11(10)12;1-7(2)9-5-3-4-8-6-11-12-10(8)9/h3-9H,1-2H3;3-7H,1-2H3,(H,11,12).
What are the key properties of 7-propan-2-yl-1H-indazole;8-propan-2-ylindolizine?
7-propan-2-yl-1H-indazole;8-propan-2-ylindolizine has a molecular weight of 319.45 g/mol, XLogP of 5.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-yl-1H-indazole;8-propan-2-ylindolizine is sourced from PubChem (CID 170759933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).