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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Related Compounds

1,2-Diethyl-3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydroindazolium iodide
CID 9550227
5-(cyclohexylmethylamino)-N,1-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45160022
1,3-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-one
CID 14126679
2,3-dimethyl-6,7-dihydro-5H-indazol-4-one
CID 68059397
2,3,6,6-Tetramethyl-5,7-dihydroindazol-4-one
CID 46900341
1,2-Diethyl-3,6,6-trimethyl-5,7-dihydroindazol-1-ium-4-one;iodide
CID 3539873
3-(Difluoromethyl)-7-fluoro-7-methyl-1-propan-2-yl-5,6-dihydroindazol-4-one
CID 90162142
5-(Difluoromethyl)-3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-dien-7-one
CID 90162193
3-(Difluoromethyl)-7,7-difluoro-1-(2-oxopropyl)-5,6-dihydroindazol-4-one
CID 90162718
1-ethyl-3-(trifluoromethyl)-6,7-dihydro-5H-indazol-4-one
CID 118357783
2-[3-(Difluoromethyl)-7,7-difluoro-4-oxo-5,6-dihydroindazol-1-yl]acetaldehyde
CID 118357835
3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-5H-indazol-4-one
CID 129128441

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).