2-cyclohexyl-N-(5-methyl-2-phenylpyrazol-3-yl)oxypropanamide

C19H25N3O2 — CID 150598123

IUPAC2-cyclohexyl-N-(5-methyl-2-phenylpyrazol-3-yl)oxypropanamide
SMILESCc1cc(ONC(=O)C(C)C2CCCCC2)n(-c2ccccc2)n1
InChIInChI=1S/C19H25N3O2/c1-14-13-18(22(20-14)17-11-7-4-8-12-17)24-21-19(23)15(2)16-9-5-3-6-10-16/h4,7-8,11-13,15-16H,3,5-6,9-10H2,1-2H3,(H,21,23)
InChIKeyIRHIMLHUWHLURM-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.81
Rot. Bonds5

About 2-cyclohexyl-N-(5-methyl-2-phenylpyrazol-3-yl)oxypropanamide

2-cyclohexyl-N-(5-methyl-2-phenylpyrazol-3-yl)oxypropanamide (PubChem CID 150598123) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-cyclohexyl-N-(5-methyl-2-phenylpyrazol-3-yl)oxypropanamide.

Molecular Properties

Compound Name2-cyclohexyl-N-(5-methyl-2-phenylpyrazol-3-yl)oxypropanamide
PubChem CID150598123
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name2-cyclohexyl-N-(5-methyl-2-phenylpyrazol-3-yl)oxypropanamide
SMILESCc1cc(ONC(=O)C(C)C2CCCCC2)n(-c2ccccc2)n1
InChIInChI=1S/C19H25N3O2/c1-14-13-18(22(20-14)17-11-7-4-8-12-17)24-21-19(23)15(2)16-9-5-3-6-10-16/h4,7-8,11-13,15-16H,3,5-6,9-10H2,1-2H3,(H,21,23)
InChIKeyIRHIMLHUWHLURM-UHFFFAOYSA-N
XLogP3.81
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(5-methyl-2-phenylpyrazol-3-yl)oxyethyl cyclohexanecarboxylate
CID 166035459
N-[(5-methyl-2-phenylpyrazol-3-yl)oxymethyl]cyclohexanecarboxamide
CID 146422801
(5-methyl-2-phenylpyrazol-3-yl) 2-methylpropanoate
CID 155801750
[3-[[4-[5-(cyclopentanecarbonyloxymethoxy)-3-methylpyrazol-1-yl]phenyl]methyl]-1-phenylpyrazol-5-yl]oxymethyl cyclohexanecarboxylate
CID 146422853
(5-methyl-2-phenylpyrazol-3-yl) hydrogen carbonate
CID 175140326
2-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)oxy-2-phenylbutanamide
CID 151612404
[1-(cyclohexylamino)-1-oxopropan-2-yl] 4-(3,5-dimethylpyrazol-1-yl)benzoate
CID 42974100
[(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 4-(3,5-dimethylpyrazol-1-yl)benzoate
CID 7860879
1-[(2S)-2-hydroxypropyl]-3-(5-methyl-2-phenylpyrazol-3-yl)urea
CID 95133488
2-cycloheptyl-1-phenylpropan-1-one
CID 104844954
[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 4-propan-2-yloxybenzoate
CID 7210494
(5-methyl-2-phenylpyrazol-3-yl) N,N-diphenylcarbamate
CID 155801902

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-(5-methyl-2-phenylpyrazol-3-yl)oxypropanamide?
The IUPAC name of 2-cyclohexyl-N-(5-methyl-2-phenylpyrazol-3-yl)oxypropanamide (CID 150598123) is 2-cyclohexyl-N-(5-methyl-2-phenylpyrazol-3-yl)oxypropanamide.
What is the SMILES notation for 2-cyclohexyl-N-(5-methyl-2-phenylpyrazol-3-yl)oxypropanamide?
The canonical SMILES for 2-cyclohexyl-N-(5-methyl-2-phenylpyrazol-3-yl)oxypropanamide is Cc1cc(ONC(=O)C(C)C2CCCCC2)n(-c2ccccc2)n1.
What is the InChIKey of 2-cyclohexyl-N-(5-methyl-2-phenylpyrazol-3-yl)oxypropanamide?
The InChIKey is IRHIMLHUWHLURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-14-13-18(22(20-14)17-11-7-4-8-12-17)24-21-19(23)15(2)16-9-5-3-6-10-16/h4,7-8,11-13,15-16H,3,5-6,9-10H2,1-2H3,(H,21,23).
What are the key properties of 2-cyclohexyl-N-(5-methyl-2-phenylpyrazol-3-yl)oxypropanamide?
2-cyclohexyl-N-(5-methyl-2-phenylpyrazol-3-yl)oxypropanamide has a molecular weight of 327.43 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-(5-methyl-2-phenylpyrazol-3-yl)oxypropanamide is sourced from PubChem (CID 150598123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).