2-cyclohexyl-4,5,6,7-tetrahydro-1H-indazol-3-one

C13H20N2O — CID 66021287

IUPAC2-cyclohexyl-4,5,6,7-tetrahydro-1H-indazol-3-one
SMILESO=c1c2c([nH]n1C1CCCCC1)CCCC2
InChIInChI=1S/C13H20N2O/c16-13-11-8-4-5-9-12(11)14-15(13)10-6-2-1-3-7-10/h10,14H,1-9H2
InChIKeySUCDVUZPKUCKLA-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.56
Rot. Bonds1

About 2-cyclohexyl-4,5,6,7-tetrahydro-1H-indazol-3-one

2-cyclohexyl-4,5,6,7-tetrahydro-1H-indazol-3-one (PubChem CID 66021287) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-cyclohexyl-4,5,6,7-tetrahydro-1H-indazol-3-one.

Molecular Properties

Compound Name2-cyclohexyl-4,5,6,7-tetrahydro-1H-indazol-3-one
PubChem CID66021287
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-cyclohexyl-4,5,6,7-tetrahydro-1H-indazol-3-one
SMILESO=c1c2c([nH]n1C1CCCCC1)CCCC2
InChIInChI=1S/C13H20N2O/c16-13-11-8-4-5-9-12(11)14-15(13)10-6-2-1-3-7-10/h10,14H,1-9H2
InChIKeySUCDVUZPKUCKLA-UHFFFAOYSA-N
XLogP2.56
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-4,5,6,7-tetrahydro-2H-indazol-3-ol
CID 12160753
1-methyl-4,5,6,7-tetrahydro-1H-indazol-3(2H)-one
CID 13613870
1-propan-2-yl-4,5,6,7-tetrahydro-2H-indazol-3-one
CID 21822432
2-ethyl-4,5,6,7-tetrahydro-1H-indazol-3-one
CID 66022116
1-pentyl-4,5,6,7-tetrahydro-2H-indazol-3-one
CID 68129033
5-methyl-2,4-dipentyl-1H-pyrazol-3-one
CID 70541585
2-pentyl-4,5,6,7-tetrahydro-1H-indazol-3-one
CID 70614749
6-methyl-2-pentyl-4,5,6,7-tetrahydro-1H-indazol-3-one
CID 70631093
5-(Cyclopropylamino)-1,2,4,5,6,7-hexahydroindazol-3-one
CID 89519677
2-Methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-one
CID 90162063
2-Ethyl-1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-one
CID 90162079
2-Ethyl-1-methyl-4,5,6,7-tetrahydroindazol-3-one
CID 90167945

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4,5,6,7-tetrahydro-1H-indazol-3-one?
The IUPAC name of 2-cyclohexyl-4,5,6,7-tetrahydro-1H-indazol-3-one (CID 66021287) is 2-cyclohexyl-4,5,6,7-tetrahydro-1H-indazol-3-one.
What is the SMILES notation for 2-cyclohexyl-4,5,6,7-tetrahydro-1H-indazol-3-one?
The canonical SMILES for 2-cyclohexyl-4,5,6,7-tetrahydro-1H-indazol-3-one is O=c1c2c([nH]n1C1CCCCC1)CCCC2.
What is the InChIKey of 2-cyclohexyl-4,5,6,7-tetrahydro-1H-indazol-3-one?
The InChIKey is SUCDVUZPKUCKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c16-13-11-8-4-5-9-12(11)14-15(13)10-6-2-1-3-7-10/h10,14H,1-9H2.
What are the key properties of 2-cyclohexyl-4,5,6,7-tetrahydro-1H-indazol-3-one?
2-cyclohexyl-4,5,6,7-tetrahydro-1H-indazol-3-one has a molecular weight of 220.32 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-4,5,6,7-tetrahydro-1H-indazol-3-one is sourced from PubChem (CID 66021287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).