N-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]-2-(4-pyrazol-1-ylphenyl)acetamide

C20H27N3O2 — CID 51948680

IUPACN-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]-2-(4-pyrazol-1-ylphenyl)acetamide
SMILESC[C@H]1CCCC[C@@H]1OCCNC(=O)Cc1ccc(-n2cccn2)cc1
InChIInChI=1S/C20H27N3O2/c1-16-5-2-3-6-19(16)25-14-12-21-20(24)15-17-7-9-18(10-8-17)23-13-4-11-22-23/h4,7-11,13,16,19H,2-3,5-6,12,14-15H2,1H3,(H,21,24)/t16-,19-/m0/s1
InChIKeyPUGUJTSFSLEHFW-LPHOPBHVSA-N
MW341.45 g/mol
LogP3.13
Rot. Bonds7

About N-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]-2-(4-pyrazol-1-ylphenyl)acetamide

N-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]-2-(4-pyrazol-1-ylphenyl)acetamide (PubChem CID 51948680) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is N-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]-2-(4-pyrazol-1-ylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]-2-(4-pyrazol-1-ylphenyl)acetamide
PubChem CID51948680
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC NameN-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]-2-(4-pyrazol-1-ylphenyl)acetamide
SMILESC[C@H]1CCCC[C@@H]1OCCNC(=O)Cc1ccc(-n2cccn2)cc1
InChIInChI=1S/C20H27N3O2/c1-16-5-2-3-6-19(16)25-14-12-21-20(24)15-17-7-9-18(10-8-17)23-13-4-11-22-23/h4,7-11,13,16,19H,2-3,5-6,12,14-15H2,1H3,(H,21,24)/t16-,19-/m0/s1
InChIKeyPUGUJTSFSLEHFW-LPHOPBHVSA-N
XLogP3.13
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-methylcyclohexyl)oxyethyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 47036325
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(4-pyrazol-1-ylphenyl)acetamide
CID 98680919
2-(4-pyrazol-1-ylphenyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide
CID 86990308
N-(3-hydroxy-4-methylpentyl)-2-(4-pyrazol-1-ylphenyl)acetamide
CID 111461001
N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-(4-pyrazol-1-ylphenyl)acetamide
CID 51947693
1-(3-chlorophenyl)-N-[2-(2-methylcyclohexyl)oxyethyl]pyrazole-3-carboxamide
CID 55924641
5-chloro-N-[2-(2-methylcyclohexyl)oxyethyl]furan-2-carboxamide
CID 51115806
1-methyl-N-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]pyrazole-4-carboxamide
CID 51726444
1-methyl-3-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-1-(2-pyrazol-1-ylethyl)urea
CID 95622064
6-methyl-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]pyridine-2-carboxamide
CID 51948701
2-(2-methoxyethylamino)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 119699721
N-[(3S)-1,1-dioxothiolan-3-yl]-3-[[2-(4-pyrazol-1-ylphenyl)acetyl]amino]propanamide
CID 51949005

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]-2-(4-pyrazol-1-ylphenyl)acetamide?
The IUPAC name of N-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]-2-(4-pyrazol-1-ylphenyl)acetamide (CID 51948680) is N-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]-2-(4-pyrazol-1-ylphenyl)acetamide.
What is the SMILES notation for N-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]-2-(4-pyrazol-1-ylphenyl)acetamide?
The canonical SMILES for N-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]-2-(4-pyrazol-1-ylphenyl)acetamide is C[C@H]1CCCC[C@@H]1OCCNC(=O)Cc1ccc(-n2cccn2)cc1.
What is the InChIKey of N-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]-2-(4-pyrazol-1-ylphenyl)acetamide?
The InChIKey is PUGUJTSFSLEHFW-LPHOPBHVSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-16-5-2-3-6-19(16)25-14-12-21-20(24)15-17-7-9-18(10-8-17)23-13-4-11-22-23/h4,7-11,13,16,19H,2-3,5-6,12,14-15H2,1H3,(H,21,24)/t16-,19-/m0/s1.
What are the key properties of N-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]-2-(4-pyrazol-1-ylphenyl)acetamide?
N-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]-2-(4-pyrazol-1-ylphenyl)acetamide has a molecular weight of 341.45 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]-2-(4-pyrazol-1-ylphenyl)acetamide is sourced from PubChem (CID 51948680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).