4-[(1-ethylindazol-3-yl)methyl-methylamino]cyclohexan-1-one

C17H23N3O — CID 79118847

IUPAC4-[(1-ethylindazol-3-yl)methyl-methylamino]cyclohexan-1-one
SMILESCCn1nc(CN(C)C2CCC(=O)CC2)c2ccccc21
InChIInChI=1S/C17H23N3O/c1-3-20-17-7-5-4-6-15(17)16(18-20)12-19(2)13-8-10-14(21)11-9-13/h4-7,13H,3,8-12H2,1-2H3
InChIKeyXDLXBEAHSFLAGF-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.00
Rot. Bonds4

About 4-[(1-ethylindazol-3-yl)methyl-methylamino]cyclohexan-1-one

4-[(1-ethylindazol-3-yl)methyl-methylamino]cyclohexan-1-one (PubChem CID 79118847) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-[(1-ethylindazol-3-yl)methyl-methylamino]cyclohexan-1-one.

Molecular Properties

Compound Name4-[(1-ethylindazol-3-yl)methyl-methylamino]cyclohexan-1-one
PubChem CID79118847
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name4-[(1-ethylindazol-3-yl)methyl-methylamino]cyclohexan-1-one
SMILESCCn1nc(CN(C)C2CCC(=O)CC2)c2ccccc21
InChIInChI=1S/C17H23N3O/c1-3-20-17-7-5-4-6-15(17)16(18-20)12-19(2)13-8-10-14(21)11-9-13/h4-7,13H,3,8-12H2,1-2H3
InChIKeyXDLXBEAHSFLAGF-UHFFFAOYSA-N
XLogP3.00
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethylindazol-3-yl)methyl-methylamino]cyclohexan-1-one?
The IUPAC name of 4-[(1-ethylindazol-3-yl)methyl-methylamino]cyclohexan-1-one (CID 79118847) is 4-[(1-ethylindazol-3-yl)methyl-methylamino]cyclohexan-1-one.
What is the SMILES notation for 4-[(1-ethylindazol-3-yl)methyl-methylamino]cyclohexan-1-one?
The canonical SMILES for 4-[(1-ethylindazol-3-yl)methyl-methylamino]cyclohexan-1-one is CCn1nc(CN(C)C2CCC(=O)CC2)c2ccccc21.
What is the InChIKey of 4-[(1-ethylindazol-3-yl)methyl-methylamino]cyclohexan-1-one?
The InChIKey is XDLXBEAHSFLAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-3-20-17-7-5-4-6-15(17)16(18-20)12-19(2)13-8-10-14(21)11-9-13/h4-7,13H,3,8-12H2,1-2H3.
What are the key properties of 4-[(1-ethylindazol-3-yl)methyl-methylamino]cyclohexan-1-one?
4-[(1-ethylindazol-3-yl)methyl-methylamino]cyclohexan-1-one has a molecular weight of 285.39 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethylindazol-3-yl)methyl-methylamino]cyclohexan-1-one is sourced from PubChem (CID 79118847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).