4-(7-propan-2-ylindazol-2-yl)benzonitrile

C17H15N3 — CID 172599755

IUPAC4-(7-propan-2-ylindazol-2-yl)benzonitrile
SMILESCC(C)c1cccc2cn(-c3ccc(C#N)cc3)nc12
InChIInChI=1S/C17H15N3/c1-12(2)16-5-3-4-14-11-20(19-17(14)16)15-8-6-13(10-18)7-9-15/h3-9,11-12H,1-2H3
InChIKeyWYSLZUGTIKXGLW-UHFFFAOYSA-N
MW261.33 g/mol
LogP4.02
Rot. Bonds2

About 4-(7-propan-2-ylindazol-2-yl)benzonitrile

4-(7-propan-2-ylindazol-2-yl)benzonitrile (PubChem CID 172599755) has the molecular formula C17H15N3 and a molecular weight of 261.33 g/mol. Its IUPAC name is 4-(7-propan-2-ylindazol-2-yl)benzonitrile.

Molecular Properties

Compound Name4-(7-propan-2-ylindazol-2-yl)benzonitrile
PubChem CID172599755
Molecular FormulaC17H15N3
Molecular Weight261.33 g/mol
Exact Mass261.13
IUPAC Name4-(7-propan-2-ylindazol-2-yl)benzonitrile
SMILESCC(C)c1cccc2cn(-c3ccc(C#N)cc3)nc12
InChIInChI=1S/C17H15N3/c1-12(2)16-5-3-4-14-11-20(19-17(14)16)15-8-6-13(10-18)7-9-15/h3-9,11-12H,1-2H3
InChIKeyWYSLZUGTIKXGLW-UHFFFAOYSA-N
XLogP4.02
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(7-propan-2-ylindazol-2-yl)benzonitrile?
The IUPAC name of 4-(7-propan-2-ylindazol-2-yl)benzonitrile (CID 172599755) is 4-(7-propan-2-ylindazol-2-yl)benzonitrile.
What is the SMILES notation for 4-(7-propan-2-ylindazol-2-yl)benzonitrile?
The canonical SMILES for 4-(7-propan-2-ylindazol-2-yl)benzonitrile is CC(C)c1cccc2cn(-c3ccc(C#N)cc3)nc12.
What is the InChIKey of 4-(7-propan-2-ylindazol-2-yl)benzonitrile?
The InChIKey is WYSLZUGTIKXGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3/c1-12(2)16-5-3-4-14-11-20(19-17(14)16)15-8-6-13(10-18)7-9-15/h3-9,11-12H,1-2H3.
What are the key properties of 4-(7-propan-2-ylindazol-2-yl)benzonitrile?
4-(7-propan-2-ylindazol-2-yl)benzonitrile has a molecular weight of 261.33 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-propan-2-ylindazol-2-yl)benzonitrile is sourced from PubChem (CID 172599755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).