N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-phenoxyacetamide

C14H17N3O2 — CID 4612430

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-2-phenoxyacetamide
SMILESCc1c(CNC(=O)COc2ccccc2)cnn1C
InChIInChI=1S/C14H17N3O2/c1-11-12(9-16-17(11)2)8-15-14(18)10-19-13-6-4-3-5-7-13/h3-7,9H,8,10H2,1-2H3,(H,15,18)
InChIKeyHQIQXOUQLACVBX-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.42
Rot. Bonds5

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-phenoxyacetamide

N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-phenoxyacetamide (PubChem CID 4612430) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-2-phenoxyacetamide
PubChem CID4612430
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-2-phenoxyacetamide
SMILESCc1c(CNC(=O)COc2ccccc2)cnn1C
InChIInChI=1S/C14H17N3O2/c1-11-12(9-16-17(11)2)8-15-14(18)10-19-13-6-4-3-5-7-13/h3-7,9H,8,10H2,1-2H3,(H,15,18)
InChIKeyHQIQXOUQLACVBX-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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Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-phenoxyacetamide?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-phenoxyacetamide (CID 4612430) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-phenoxyacetamide?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-phenoxyacetamide is Cc1c(CNC(=O)COc2ccccc2)cnn1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-phenoxyacetamide?
The InChIKey is HQIQXOUQLACVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-11-12(9-16-17(11)2)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-[(1,5-dimethylpyrazol-4-yl)methyl]-2-phenoxyacetamide?
N-[(1,5-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-[(1,5-dimethylpyrazol-4-yl)methyl]-2-phenoxyacetamide is sourced from PubChem (CID 4612430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).