N-(6-chloro-1H-indazol-3-yl)butanamide

C11H12ClN3O — CID 10421683

IUPACN-(6-chloro-1H-indazol-3-yl)butanamide
SMILESCCCC(=O)Nc1n[nH]c2cc(Cl)ccc12
InChIInChI=1S/C11H12ClN3O/c1-2-3-10(16)13-11-8-5-4-7(12)6-9(8)14-15-11/h4-6H,2-3H2,1H3,(H2,13,14,15,16)
InChIKeyVHQZZDZWVQELLJ-UHFFFAOYSA-N
MW237.69 g/mol
LogP2.95
Rot. Bonds3

About N-(6-chloro-1H-indazol-3-yl)butanamide

N-(6-chloro-1H-indazol-3-yl)butanamide (PubChem CID 10421683) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is N-(6-chloro-1H-indazol-3-yl)butanamide.

Molecular Properties

Compound NameN-(6-chloro-1H-indazol-3-yl)butanamide
PubChem CID10421683
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC NameN-(6-chloro-1H-indazol-3-yl)butanamide
SMILESCCCC(=O)Nc1n[nH]c2cc(Cl)ccc12
InChIInChI=1S/C11H12ClN3O/c1-2-3-10(16)13-11-8-5-4-7(12)6-9(8)14-15-11/h4-6H,2-3H2,1H3,(H2,13,14,15,16)
InChIKeyVHQZZDZWVQELLJ-UHFFFAOYSA-N
XLogP2.95
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(6-chloro-1H-indazol-3-yl)butanamide 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 N-(6-chloro-1H-indazol-3-yl)butanamide?
The IUPAC name of N-(6-chloro-1H-indazol-3-yl)butanamide (CID 10421683) is N-(6-chloro-1H-indazol-3-yl)butanamide.
What is the SMILES notation for N-(6-chloro-1H-indazol-3-yl)butanamide?
The canonical SMILES for N-(6-chloro-1H-indazol-3-yl)butanamide is CCCC(=O)Nc1n[nH]c2cc(Cl)ccc12.
What is the InChIKey of N-(6-chloro-1H-indazol-3-yl)butanamide?
The InChIKey is VHQZZDZWVQELLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c1-2-3-10(16)13-11-8-5-4-7(12)6-9(8)14-15-11/h4-6H,2-3H2,1H3,(H2,13,14,15,16).
What are the key properties of N-(6-chloro-1H-indazol-3-yl)butanamide?
N-(6-chloro-1H-indazol-3-yl)butanamide has a molecular weight of 237.69 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-1H-indazol-3-yl)butanamide is sourced from PubChem (CID 10421683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).