N-(2,2-dimethylcyclopentyl)-2-(1H-indazol-5-yl)acetamide

C16H21N3O — CID 119037007

IUPACN-(2,2-dimethylcyclopentyl)-2-(1H-indazol-5-yl)acetamide
SMILESCC1(C)CCCC1NC(=O)Cc1ccc2[nH]ncc2c1
InChIInChI=1S/C16H21N3O/c1-16(2)7-3-4-14(16)18-15(20)9-11-5-6-13-12(8-11)10-17-19-13/h5-6,8,10,14H,3-4,7,9H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyPAFJIADXBSOZBC-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.80
Rot. Bonds3

About N-(2,2-dimethylcyclopentyl)-2-(1H-indazol-5-yl)acetamide

N-(2,2-dimethylcyclopentyl)-2-(1H-indazol-5-yl)acetamide (PubChem CID 119037007) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-(2,2-dimethylcyclopentyl)-2-(1H-indazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(2,2-dimethylcyclopentyl)-2-(1H-indazol-5-yl)acetamide
PubChem CID119037007
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-(2,2-dimethylcyclopentyl)-2-(1H-indazol-5-yl)acetamide
SMILESCC1(C)CCCC1NC(=O)Cc1ccc2[nH]ncc2c1
InChIInChI=1S/C16H21N3O/c1-16(2)7-3-4-14(16)18-15(20)9-11-5-6-13-12(8-11)10-17-19-13/h5-6,8,10,14H,3-4,7,9H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyPAFJIADXBSOZBC-UHFFFAOYSA-N
XLogP2.80
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(2,2-dimethylcyclopentyl)-2-(1H-indazol-5-yl)acetamide 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-(2,2-dimethylcyclopentyl)-2-(1H-indazol-5-yl)acetamide?
The IUPAC name of N-(2,2-dimethylcyclopentyl)-2-(1H-indazol-5-yl)acetamide (CID 119037007) is N-(2,2-dimethylcyclopentyl)-2-(1H-indazol-5-yl)acetamide.
What is the SMILES notation for N-(2,2-dimethylcyclopentyl)-2-(1H-indazol-5-yl)acetamide?
The canonical SMILES for N-(2,2-dimethylcyclopentyl)-2-(1H-indazol-5-yl)acetamide is CC1(C)CCCC1NC(=O)Cc1ccc2[nH]ncc2c1.
What is the InChIKey of N-(2,2-dimethylcyclopentyl)-2-(1H-indazol-5-yl)acetamide?
The InChIKey is PAFJIADXBSOZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-16(2)7-3-4-14(16)18-15(20)9-11-5-6-13-12(8-11)10-17-19-13/h5-6,8,10,14H,3-4,7,9H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N-(2,2-dimethylcyclopentyl)-2-(1H-indazol-5-yl)acetamide?
N-(2,2-dimethylcyclopentyl)-2-(1H-indazol-5-yl)acetamide has a molecular weight of 271.36 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclopentyl)-2-(1H-indazol-5-yl)acetamide is sourced from PubChem (CID 119037007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).