1,4-dimethyl-2H-pyrazolo[3,4-b]indole

C11H11N3 — CID 134515346

IUPAC1,4-dimethyl-2H-pyrazolo[3,4-b]indole
SMILESCc1[nH]nc2c1c1ccccc1n2C
InChIInChI=1S/C11H11N3/c1-7-10-8-5-3-4-6-9(8)14(2)11(10)13-12-7/h3-6H,1-2H3,(H,12,13)
InChIKeyUQHXAUWVUQENKE-UHFFFAOYSA-N
MW185.23 g/mol
LogP2.36
Rot. Bonds

About 1,4-dimethyl-2H-pyrazolo[3,4-b]indole

1,4-dimethyl-2H-pyrazolo[3,4-b]indole (PubChem CID 134515346) has the molecular formula C11H11N3 and a molecular weight of 185.23 g/mol. Its IUPAC name is 1,4-dimethyl-2H-pyrazolo[3,4-b]indole.

Molecular Properties

Compound Name1,4-dimethyl-2H-pyrazolo[3,4-b]indole
PubChem CID134515346
Molecular FormulaC11H11N3
Molecular Weight185.23 g/mol
Exact Mass185.10
IUPAC Name1,4-dimethyl-2H-pyrazolo[3,4-b]indole
SMILESCc1[nH]nc2c1c1ccccc1n2C
InChIInChI=1S/C11H11N3/c1-7-10-8-5-3-4-6-9(8)14(2)11(10)13-12-7/h3-6H,1-2H3,(H,12,13)
InChIKeyUQHXAUWVUQENKE-UHFFFAOYSA-N
XLogP2.36
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,4-dimethyl-2H-pyrazolo[3,4-b]indole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-2H-pyrazolo[3,4-b]indole?
The IUPAC name of 1,4-dimethyl-2H-pyrazolo[3,4-b]indole (CID 134515346) is 1,4-dimethyl-2H-pyrazolo[3,4-b]indole.
What is the SMILES notation for 1,4-dimethyl-2H-pyrazolo[3,4-b]indole?
The canonical SMILES for 1,4-dimethyl-2H-pyrazolo[3,4-b]indole is Cc1[nH]nc2c1c1ccccc1n2C.
What is the InChIKey of 1,4-dimethyl-2H-pyrazolo[3,4-b]indole?
The InChIKey is UQHXAUWVUQENKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3/c1-7-10-8-5-3-4-6-9(8)14(2)11(10)13-12-7/h3-6H,1-2H3,(H,12,13).
What are the key properties of 1,4-dimethyl-2H-pyrazolo[3,4-b]indole?
1,4-dimethyl-2H-pyrazolo[3,4-b]indole has a molecular weight of 185.23 g/mol, XLogP of 2.36, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-2H-pyrazolo[3,4-b]indole is sourced from PubChem (CID 134515346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).