1-methyl-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]pyrazole-4-carboxamide

C14H23N3O2 — CID 51726445

IUPAC1-methyl-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]pyrazole-4-carboxamide
SMILESC[C@@H]1CCCC[C@H]1OCCNC(=O)c1cnn(C)c1
InChIInChI=1S/C14H23N3O2/c1-11-5-3-4-6-13(11)19-8-7-15-14(18)12-9-16-17(2)10-12/h9-11,13H,3-8H2,1-2H3,(H,15,18)/t11-,13-/m1/s1
InChIKeyFHXGSGVKNHVAGK-DGCLKSJQSA-N
MW265.36 g/mol
LogP1.75
Rot. Bonds5

About 1-methyl-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]pyrazole-4-carboxamide

1-methyl-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]pyrazole-4-carboxamide (PubChem CID 51726445) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-methyl-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]pyrazole-4-carboxamide
PubChem CID51726445
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name1-methyl-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]pyrazole-4-carboxamide
SMILESC[C@@H]1CCCC[C@H]1OCCNC(=O)c1cnn(C)c1
InChIInChI=1S/C14H23N3O2/c1-11-5-3-4-6-13(11)19-8-7-15-14(18)12-9-16-17(2)10-12/h9-11,13H,3-8H2,1-2H3,(H,15,18)/t11-,13-/m1/s1
InChIKeyFHXGSGVKNHVAGK-DGCLKSJQSA-N
XLogP1.75
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.75
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

1-methyl-N-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]pyrazole-4-carboxamide
CID 51726444
N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 95617299
N-(2-methoxyethyl)-1-methylpyrazole-4-carboxamide
CID 19474676
1-methyl-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 95157228
N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 51948677
6-(dimethylamino)-N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]pyridine-3-carboxamide
CID 94131649
5-(2,5-dimethylpyrrol-1-yl)-1-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]pyrazole-4-carboxamide
CID 71886952
1,3,5-trimethyl-N-[2-(2-methylcyclohexyl)oxyethyl]pyrazole-4-carboxamide
CID 51081065
1-methyl-N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 51948671
4-bromo-N-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]-1H-pyrazole-5-carboxamide
CID 95619711
N-[2-(cyclopropanecarbonylamino)ethyl]-1-methylpyrazole-4-carboxamide
CID 31364847
5-chloro-N-[2-(2-methylcyclohexyl)oxyethyl]furan-2-carboxamide
CID 51115806

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]pyrazole-4-carboxamide (CID 51726445) is 1-methyl-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]pyrazole-4-carboxamide is C[C@@H]1CCCC[C@H]1OCCNC(=O)c1cnn(C)c1.
What is the InChIKey of 1-methyl-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]pyrazole-4-carboxamide?
The InChIKey is FHXGSGVKNHVAGK-DGCLKSJQSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-11-5-3-4-6-13(11)19-8-7-15-14(18)12-9-16-17(2)10-12/h9-11,13H,3-8H2,1-2H3,(H,15,18)/t11-,13-/m1/s1.
What are the key properties of 1-methyl-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]pyrazole-4-carboxamide?
1-methyl-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]pyrazole-4-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 51726445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).