N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-phenoxyacetamide

C14H17N3O2 — CID 42352426

IUPACN-[(1,3-dimethylpyrazol-4-yl)methyl]-2-phenoxyacetamide
SMILESCc1nn(C)cc1CNC(=O)COc1ccccc1
InChIInChI=1S/C14H17N3O2/c1-11-12(9-17(2)16-11)8-15-14(18)10-19-13-6-4-3-5-7-13/h3-7,9H,8,10H2,1-2H3,(H,15,18)
InChIKeyZFDWEYGTTSZJLZ-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.42
Rot. Bonds5

About N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-phenoxyacetamide

N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-phenoxyacetamide (PubChem CID 42352426) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-2-phenoxyacetamide
PubChem CID42352426
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-2-phenoxyacetamide
SMILESCc1nn(C)cc1CNC(=O)COc1ccccc1
InChIInChI=1S/C14H17N3O2/c1-11-12(9-17(2)16-11)8-15-14(18)10-19-13-6-4-3-5-7-13/h3-7,9H,8,10H2,1-2H3,(H,15,18)
InChIKeyZFDWEYGTTSZJLZ-UHFFFAOYSA-N
XLogP1.42
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-phenylacetamide
CID 19288393
3-(3-aminophenoxy)-N-[(1,3-dimethylpyrazol-4-yl)methyl]propanamide
CID 115988957
2-(4-aminophenoxy)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]acetamide
CID 115988923
5-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]pentanamide
CID 112668674
2-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-phenylacetamide
CID 112669565
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1H-indazole-3-carboxamide
CID 115991487
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-fluorobenzamide
CID 112668766
2-phenoxy-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]acetamide
CID 110716769
N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-hydroxypentanamide
CID 112672114
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(3-methylphenoxy)propanamide
CID 75455498
N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-phenoxyacetamide
CID 79530146
N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(5-methylpyrazol-1-yl)propanamide
CID 19569842

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-phenoxyacetamide?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-phenoxyacetamide (CID 42352426) is N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-phenoxyacetamide?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-phenoxyacetamide is Cc1nn(C)cc1CNC(=O)COc1ccccc1.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-phenoxyacetamide?
The InChIKey is ZFDWEYGTTSZJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-11-12(9-17(2)16-11)8-15-14(18)10-19-13-6-4-3-5-7-13/h3-7,9H,8,10H2,1-2H3,(H,15,18).
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-phenoxyacetamide?
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-phenoxyacetamide has a molecular weight of 259.31 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-phenoxyacetamide is sourced from PubChem (CID 42352426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).