2-propan-2-ylindazole-5-carbonitrile

C11H11N3 — CID 84718934

IUPAC2-propan-2-ylindazole-5-carbonitrile
SMILESCC(C)n1cc2cc(C#N)ccc2n1
InChIInChI=1S/C11H11N3/c1-8(2)14-7-10-5-9(6-12)3-4-11(10)13-14/h3-5,7-8H,1-2H3
InChIKeyXOEJDRANZYAQHE-UHFFFAOYSA-N
MW185.23 g/mol
LogP2.49
Rot. Bonds1

About 2-propan-2-ylindazole-5-carbonitrile

2-propan-2-ylindazole-5-carbonitrile (PubChem CID 84718934) has the molecular formula C11H11N3 and a molecular weight of 185.23 g/mol. Its IUPAC name is 2-propan-2-ylindazole-5-carbonitrile.

Molecular Properties

Compound Name2-propan-2-ylindazole-5-carbonitrile
PubChem CID84718934
Molecular FormulaC11H11N3
Molecular Weight185.23 g/mol
Exact Mass185.10
IUPAC Name2-propan-2-ylindazole-5-carbonitrile
SMILESCC(C)n1cc2cc(C#N)ccc2n1
InChIInChI=1S/C11H11N3/c1-8(2)14-7-10-5-9(6-12)3-4-11(10)13-14/h3-5,7-8H,1-2H3
InChIKeyXOEJDRANZYAQHE-UHFFFAOYSA-N
XLogP2.49
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-propan-2-ylindazole-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-propan-2-ylindazol-5-ol
CID 84717775
(2-propan-2-ylindazol-5-yl)methanol
CID 90356269
N-methyl-1-(2-propan-2-ylindazol-5-yl)ethanamine
CID 84724099
2-(2-propan-2-ylindazol-5-yl)ethanamine
CID 84721669
ethane;2-methylpropane;2-propan-2-ylindazole
CID 159582971
6-chloro-2-propan-2-ylindazole
CID 84720409
2-oxo-2-[4-(2-propan-2-ylindazol-5-yl)phenyl]acetamide
CID 144811408
2,3-dimethylquinoxaline-6-carbonitrile
CID 45099880
6-(2-methylpropyl)-2-propan-2-ylindazole
CID 155051024
1-(2-propan-2-ylindazol-6-yl)propan-2-amine
CID 84724116
anthracene-2,6-dicarbonitrile
CID 89012264
2-(1-chloroethyl)-3-ethylbenzimidazole-5-carbonitrile
CID 104715265

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylindazole-5-carbonitrile?
The IUPAC name of 2-propan-2-ylindazole-5-carbonitrile (CID 84718934) is 2-propan-2-ylindazole-5-carbonitrile.
What is the SMILES notation for 2-propan-2-ylindazole-5-carbonitrile?
The canonical SMILES for 2-propan-2-ylindazole-5-carbonitrile is CC(C)n1cc2cc(C#N)ccc2n1.
What is the InChIKey of 2-propan-2-ylindazole-5-carbonitrile?
The InChIKey is XOEJDRANZYAQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3/c1-8(2)14-7-10-5-9(6-12)3-4-11(10)13-14/h3-5,7-8H,1-2H3.
What are the key properties of 2-propan-2-ylindazole-5-carbonitrile?
2-propan-2-ylindazole-5-carbonitrile has a molecular weight of 185.23 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylindazole-5-carbonitrile is sourced from PubChem (CID 84718934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).