N-[[(1R,2S)-2-hydroxy-1-methylcyclohexyl]methyl]-2-indazol-1-ylacetamide

C17H23N3O2 — CID 99775313

IUPACN-[[(1R,2S)-2-hydroxy-1-methylcyclohexyl]methyl]-2-indazol-1-ylacetamide
SMILESC[C@]1(CNC(=O)Cn2ncc3ccccc32)CCCC[C@@H]1O
InChIInChI=1S/C17H23N3O2/c1-17(9-5-4-8-15(17)21)12-18-16(22)11-20-14-7-3-2-6-13(14)10-19-20/h2-3,6-7,10,15,21H,4-5,8-9,11-12H2,1H3,(H,18,22)/t15-,17+/m0/s1
InChIKeyFZEQBSZCAUSYOO-DOTOQJQBSA-N
MW301.39 g/mol
LogP2.09
Rot. Bonds4

About N-[[(1R,2S)-2-hydroxy-1-methylcyclohexyl]methyl]-2-indazol-1-ylacetamide

N-[[(1R,2S)-2-hydroxy-1-methylcyclohexyl]methyl]-2-indazol-1-ylacetamide (PubChem CID 99775313) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[[(1R,2S)-2-hydroxy-1-methylcyclohexyl]methyl]-2-indazol-1-ylacetamide.

Molecular Properties

Compound NameN-[[(1R,2S)-2-hydroxy-1-methylcyclohexyl]methyl]-2-indazol-1-ylacetamide
PubChem CID99775313
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-[[(1R,2S)-2-hydroxy-1-methylcyclohexyl]methyl]-2-indazol-1-ylacetamide
SMILESC[C@]1(CNC(=O)Cn2ncc3ccccc32)CCCC[C@@H]1O
InChIInChI=1S/C17H23N3O2/c1-17(9-5-4-8-15(17)21)12-18-16(22)11-20-14-7-3-2-6-13(14)10-19-20/h2-3,6-7,10,15,21H,4-5,8-9,11-12H2,1H3,(H,18,22)/t15-,17+/m0/s1
InChIKeyFZEQBSZCAUSYOO-DOTOQJQBSA-N
XLogP2.09
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(1R,2S)-2-hydroxy-1-methylcyclohexyl]methyl]-2-indazol-1-ylacetamide?
The IUPAC name of N-[[(1R,2S)-2-hydroxy-1-methylcyclohexyl]methyl]-2-indazol-1-ylacetamide (CID 99775313) is N-[[(1R,2S)-2-hydroxy-1-methylcyclohexyl]methyl]-2-indazol-1-ylacetamide.
What is the SMILES notation for N-[[(1R,2S)-2-hydroxy-1-methylcyclohexyl]methyl]-2-indazol-1-ylacetamide?
The canonical SMILES for N-[[(1R,2S)-2-hydroxy-1-methylcyclohexyl]methyl]-2-indazol-1-ylacetamide is C[C@]1(CNC(=O)Cn2ncc3ccccc32)CCCC[C@@H]1O.
What is the InChIKey of N-[[(1R,2S)-2-hydroxy-1-methylcyclohexyl]methyl]-2-indazol-1-ylacetamide?
The InChIKey is FZEQBSZCAUSYOO-DOTOQJQBSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-17(9-5-4-8-15(17)21)12-18-16(22)11-20-14-7-3-2-6-13(14)10-19-20/h2-3,6-7,10,15,21H,4-5,8-9,11-12H2,1H3,(H,18,22)/t15-,17+/m0/s1.
What are the key properties of N-[[(1R,2S)-2-hydroxy-1-methylcyclohexyl]methyl]-2-indazol-1-ylacetamide?
N-[[(1R,2S)-2-hydroxy-1-methylcyclohexyl]methyl]-2-indazol-1-ylacetamide has a molecular weight of 301.39 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,2S)-2-hydroxy-1-methylcyclohexyl]methyl]-2-indazol-1-ylacetamide is sourced from PubChem (CID 99775313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).