2-indazol-1-yl-N-(4-methylcyclohexyl)acetamide

C16H21N3O — CID 5309121

IUPAC2-indazol-1-yl-N-(4-methylcyclohexyl)acetamide
SMILESCC1CCC(NC(=O)Cn2ncc3ccccc32)CC1
InChIInChI=1S/C16H21N3O/c1-12-6-8-14(9-7-12)18-16(20)11-19-15-5-3-2-4-13(15)10-17-19/h2-5,10,12,14H,6-9,11H2,1H3,(H,18,20)
InChIKeyPSNKLUJXFSXFFU-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.73
Rot. Bonds3

About 2-indazol-1-yl-N-(4-methylcyclohexyl)acetamide

2-indazol-1-yl-N-(4-methylcyclohexyl)acetamide (PubChem CID 5309121) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-indazol-1-yl-N-(4-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-indazol-1-yl-N-(4-methylcyclohexyl)acetamide
PubChem CID5309121
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-indazol-1-yl-N-(4-methylcyclohexyl)acetamide
SMILESCC1CCC(NC(=O)Cn2ncc3ccccc32)CC1
InChIInChI=1S/C16H21N3O/c1-12-6-8-14(9-7-12)18-16(20)11-19-15-5-3-2-4-13(15)10-17-19/h2-5,10,12,14H,6-9,11H2,1H3,(H,18,20)
InChIKeyPSNKLUJXFSXFFU-UHFFFAOYSA-N
XLogP2.73
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-indazol-1-yl-N-(4-methylcyclohexyl)acetamide?
The IUPAC name of 2-indazol-1-yl-N-(4-methylcyclohexyl)acetamide (CID 5309121) is 2-indazol-1-yl-N-(4-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-indazol-1-yl-N-(4-methylcyclohexyl)acetamide?
The canonical SMILES for 2-indazol-1-yl-N-(4-methylcyclohexyl)acetamide is CC1CCC(NC(=O)Cn2ncc3ccccc32)CC1.
What is the InChIKey of 2-indazol-1-yl-N-(4-methylcyclohexyl)acetamide?
The InChIKey is PSNKLUJXFSXFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-12-6-8-14(9-7-12)18-16(20)11-19-15-5-3-2-4-13(15)10-17-19/h2-5,10,12,14H,6-9,11H2,1H3,(H,18,20).
What are the key properties of 2-indazol-1-yl-N-(4-methylcyclohexyl)acetamide?
2-indazol-1-yl-N-(4-methylcyclohexyl)acetamide has a molecular weight of 271.36 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indazol-1-yl-N-(4-methylcyclohexyl)acetamide is sourced from PubChem (CID 5309121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).