2-(3-cyclohexyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)acetamide

C15H21N3O2 — CID 82590569

IUPAC2-(3-cyclohexyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)acetamide
SMILESNC(=O)Cn1nc(C2CCCCC2)c2c1CCCC2=O
InChIInChI=1S/C15H21N3O2/c16-13(20)9-18-11-7-4-8-12(19)14(11)15(17-18)10-5-2-1-3-6-10/h10H,1-9H2,(H2,16,20)
InChIKeyHTUBSQNKQWPYAT-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.94
Rot. Bonds3

About 2-(3-cyclohexyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)acetamide

2-(3-cyclohexyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)acetamide (PubChem CID 82590569) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-(3-cyclohexyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)acetamide.

Molecular Properties

Compound Name2-(3-cyclohexyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)acetamide
PubChem CID82590569
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-(3-cyclohexyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)acetamide
SMILESNC(=O)Cn1nc(C2CCCCC2)c2c1CCCC2=O
InChIInChI=1S/C15H21N3O2/c16-13(20)9-18-11-7-4-8-12(19)14(11)15(17-18)10-5-2-1-3-6-10/h10H,1-9H2,(H2,16,20)
InChIKeyHTUBSQNKQWPYAT-UHFFFAOYSA-N
XLogP1.94
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclohexyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)acetamide?
The IUPAC name of 2-(3-cyclohexyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)acetamide (CID 82590569) is 2-(3-cyclohexyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)acetamide.
What is the SMILES notation for 2-(3-cyclohexyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)acetamide?
The canonical SMILES for 2-(3-cyclohexyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)acetamide is NC(=O)Cn1nc(C2CCCCC2)c2c1CCCC2=O.
What is the InChIKey of 2-(3-cyclohexyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)acetamide?
The InChIKey is HTUBSQNKQWPYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c16-13(20)9-18-11-7-4-8-12(19)14(11)15(17-18)10-5-2-1-3-6-10/h10H,1-9H2,(H2,16,20).
What are the key properties of 2-(3-cyclohexyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)acetamide?
2-(3-cyclohexyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)acetamide has a molecular weight of 275.35 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclohexyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)acetamide is sourced from PubChem (CID 82590569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).