N-(5-methoxy-1,3-dimethylpyrazol-4-yl)-2-methyl-4-phenoxybutanamide

C17H23N3O3 — CID 71986246

IUPACN-(5-methoxy-1,3-dimethylpyrazol-4-yl)-2-methyl-4-phenoxybutanamide
SMILESCOc1c(NC(=O)C(C)CCOc2ccccc2)c(C)nn1C
InChIInChI=1S/C17H23N3O3/c1-12(10-11-23-14-8-6-5-7-9-14)16(21)18-15-13(2)19-20(3)17(15)22-4/h5-9,12H,10-11H2,1-4H3,(H,18,21)
InChIKeyKBNLCZQBJGLSKX-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.78
Rot. Bonds7

About N-(5-methoxy-1,3-dimethylpyrazol-4-yl)-2-methyl-4-phenoxybutanamide

N-(5-methoxy-1,3-dimethylpyrazol-4-yl)-2-methyl-4-phenoxybutanamide (PubChem CID 71986246) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-(5-methoxy-1,3-dimethylpyrazol-4-yl)-2-methyl-4-phenoxybutanamide.

Molecular Properties

Compound NameN-(5-methoxy-1,3-dimethylpyrazol-4-yl)-2-methyl-4-phenoxybutanamide
PubChem CID71986246
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-(5-methoxy-1,3-dimethylpyrazol-4-yl)-2-methyl-4-phenoxybutanamide
SMILESCOc1c(NC(=O)C(C)CCOc2ccccc2)c(C)nn1C
InChIInChI=1S/C17H23N3O3/c1-12(10-11-23-14-8-6-5-7-9-14)16(21)18-15-13(2)19-20(3)17(15)22-4/h5-9,12H,10-11H2,1-4H3,(H,18,21)
InChIKeyKBNLCZQBJGLSKX-UHFFFAOYSA-N
XLogP2.78
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl {3,5-dimethyl-4-[(phenoxyacetyl)amino]-1H-pyrazol-1-yl}acetate
CID 1506939
ethyl (4-{[(4-methoxyphenoxy)acetyl]amino}-3,5-dimethyl-1H-pyrazol-1-yl)acetate
CID 1506940
N-[2-(1,3-dimethyl-5-phenoxy-1H-pyrazol-4-yl)ethyl]-2,2-dimethylpropanamide
CID 3774757
2-(4-chlorophenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 4825974
2-(2,6-dimethylphenoxy)-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)acetamide
CID 6457385
2-(2-cyanophenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 7998841
Dalbraminol
CID 205958
N-[2-(1,3-dimethyl-5-phenoxy-1H-pyrazol-4-yl)ethyl]-3-methylbutanamide
CID 5164871
2-(3,4-dimethylphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 9137893
N-(2,5-diethoxyphenyl)-3-(3,5-dimethyl-1H-pyrazol-1-yl)butanamide
CID 16026627
3-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(2-methoxyphenyl)butanamide
CID 16026629
N-[2-(4-fluorophenoxy)ethyl]-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanamide
CID 37361221

Frequently Asked Questions

What is the IUPAC name of N-(5-methoxy-1,3-dimethylpyrazol-4-yl)-2-methyl-4-phenoxybutanamide?
The IUPAC name of N-(5-methoxy-1,3-dimethylpyrazol-4-yl)-2-methyl-4-phenoxybutanamide (CID 71986246) is N-(5-methoxy-1,3-dimethylpyrazol-4-yl)-2-methyl-4-phenoxybutanamide.
What is the SMILES notation for N-(5-methoxy-1,3-dimethylpyrazol-4-yl)-2-methyl-4-phenoxybutanamide?
The canonical SMILES for N-(5-methoxy-1,3-dimethylpyrazol-4-yl)-2-methyl-4-phenoxybutanamide is COc1c(NC(=O)C(C)CCOc2ccccc2)c(C)nn1C.
What is the InChIKey of N-(5-methoxy-1,3-dimethylpyrazol-4-yl)-2-methyl-4-phenoxybutanamide?
The InChIKey is KBNLCZQBJGLSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-12(10-11-23-14-8-6-5-7-9-14)16(21)18-15-13(2)19-20(3)17(15)22-4/h5-9,12H,10-11H2,1-4H3,(H,18,21).
What are the key properties of N-(5-methoxy-1,3-dimethylpyrazol-4-yl)-2-methyl-4-phenoxybutanamide?
N-(5-methoxy-1,3-dimethylpyrazol-4-yl)-2-methyl-4-phenoxybutanamide has a molecular weight of 317.39 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxy-1,3-dimethylpyrazol-4-yl)-2-methyl-4-phenoxybutanamide is sourced from PubChem (CID 71986246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).