6-chloro-3-propan-2-yl-2H-indazole

C10H11ClN2 — CID 118042502

IUPAC6-chloro-3-propan-2-yl-2H-indazole
SMILESCC(C)c1[nH]nc2cc(Cl)ccc12
InChIInChI=1S/C10H11ClN2/c1-6(2)10-8-4-3-7(11)5-9(8)12-13-10/h3-6H,1-2H3,(H,12,13)
InChIKeyGJCSGBQFUZQYFI-UHFFFAOYSA-N
MW194.66 g/mol
LogP3.34
Rot. Bonds1

About 6-chloro-3-propan-2-yl-2H-indazole

6-chloro-3-propan-2-yl-2H-indazole (PubChem CID 118042502) has the molecular formula C10H11ClN2 and a molecular weight of 194.66 g/mol. Its IUPAC name is 6-chloro-3-propan-2-yl-2H-indazole.

Molecular Properties

Compound Name6-chloro-3-propan-2-yl-2H-indazole
PubChem CID118042502
Molecular FormulaC10H11ClN2
Molecular Weight194.66 g/mol
Exact Mass194.06
IUPAC Name6-chloro-3-propan-2-yl-2H-indazole
SMILESCC(C)c1[nH]nc2cc(Cl)ccc12
InChIInChI=1S/C10H11ClN2/c1-6(2)10-8-4-3-7(11)5-9(8)12-13-10/h3-6H,1-2H3,(H,12,13)
InChIKeyGJCSGBQFUZQYFI-UHFFFAOYSA-N
XLogP3.34
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.66
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6-chloro-3-propan-2-yl-2H-indazole 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 6-chloro-3-propan-2-yl-2H-indazole?
The IUPAC name of 6-chloro-3-propan-2-yl-2H-indazole (CID 118042502) is 6-chloro-3-propan-2-yl-2H-indazole.
What is the SMILES notation for 6-chloro-3-propan-2-yl-2H-indazole?
The canonical SMILES for 6-chloro-3-propan-2-yl-2H-indazole is CC(C)c1[nH]nc2cc(Cl)ccc12.
What is the InChIKey of 6-chloro-3-propan-2-yl-2H-indazole?
The InChIKey is GJCSGBQFUZQYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2/c1-6(2)10-8-4-3-7(11)5-9(8)12-13-10/h3-6H,1-2H3,(H,12,13).
What are the key properties of 6-chloro-3-propan-2-yl-2H-indazole?
6-chloro-3-propan-2-yl-2H-indazole has a molecular weight of 194.66 g/mol, XLogP of 3.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-propan-2-yl-2H-indazole is sourced from PubChem (CID 118042502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).