N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-phenoxybutanamide

C22H25N3O2 — CID 46653199

IUPACN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-phenoxybutanamide
SMILESCc1nn(-c2ccccc2)c(C)c1CNC(=O)CCCOc1ccccc1
InChIInChI=1S/C22H25N3O2/c1-17-21(18(2)25(24-17)19-10-5-3-6-11-19)16-23-22(26)14-9-15-27-20-12-7-4-8-13-20/h3-8,10-13H,9,14-16H2,1-2H3,(H,23,26)
InChIKeyGIDYUHQFDPARCD-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.96
Rot. Bonds8

About N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-phenoxybutanamide

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-phenoxybutanamide (PubChem CID 46653199) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-phenoxybutanamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-phenoxybutanamide
PubChem CID46653199
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-phenoxybutanamide
SMILESCc1nn(-c2ccccc2)c(C)c1CNC(=O)CCCOc1ccccc1
InChIInChI=1S/C22H25N3O2/c1-17-21(18(2)25(24-17)19-10-5-3-6-11-19)16-23-22(26)14-9-15-27-20-12-7-4-8-13-20/h3-8,10-13H,9,14-16H2,1-2H3,(H,23,26)
InChIKeyGIDYUHQFDPARCD-UHFFFAOYSA-N
XLogP3.96
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.96
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-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-methoxypropanamide
CID 35760836
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(2-fluorophenoxy)propanamide
CID 134013923
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-oxo-4-phenylbutanamide
CID 134013965
N-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethyl]pentanamide
CID 110717337
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137282586
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyrazine-2-carboxamide
CID 27882833
ethyl 4-[N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N'-methylcarbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111164650
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 9377721
N-[(4-chlorophenyl)methyl]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
CID 40722802
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(2,4-dimethylquinolin-3-yl)acetamide
CID 78810073
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19566139
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(3-nitropyrazol-1-yl)propanamide
CID 19565843

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-phenoxybutanamide?
The IUPAC name of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-phenoxybutanamide (CID 46653199) is N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-phenoxybutanamide.
What is the SMILES notation for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-phenoxybutanamide?
The canonical SMILES for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-phenoxybutanamide is Cc1nn(-c2ccccc2)c(C)c1CNC(=O)CCCOc1ccccc1.
What is the InChIKey of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-phenoxybutanamide?
The InChIKey is GIDYUHQFDPARCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-17-21(18(2)25(24-17)19-10-5-3-6-11-19)16-23-22(26)14-9-15-27-20-12-7-4-8-13-20/h3-8,10-13H,9,14-16H2,1-2H3,(H,23,26).
What are the key properties of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-phenoxybutanamide?
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-phenoxybutanamide has a molecular weight of 363.46 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-phenoxybutanamide is sourced from PubChem (CID 46653199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).