N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-phenoxyacetamide

C12H14N4O2 — CID 79530146

IUPACN-[(5-amino-1H-pyrazol-4-yl)methyl]-2-phenoxyacetamide
SMILESNc1[nH]ncc1CNC(=O)COc1ccccc1
InChIInChI=1S/C12H14N4O2/c13-12-9(7-15-16-12)6-14-11(17)8-18-10-4-2-1-3-5-10/h1-5,7H,6,8H2,(H,14,17)(H3,13,15,16)
InChIKeyVRWZKJGZAFBBDL-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.69
Rot. Bonds5

About N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-phenoxyacetamide

N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-phenoxyacetamide (PubChem CID 79530146) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[(5-amino-1H-pyrazol-4-yl)methyl]-2-phenoxyacetamide
PubChem CID79530146
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC NameN-[(5-amino-1H-pyrazol-4-yl)methyl]-2-phenoxyacetamide
SMILESNc1[nH]ncc1CNC(=O)COc1ccccc1
InChIInChI=1S/C12H14N4O2/c13-12-9(7-15-16-12)6-14-11(17)8-18-10-4-2-1-3-5-10/h1-5,7H,6,8H2,(H,14,17)(H3,13,15,16)
InChIKeyVRWZKJGZAFBBDL-UHFFFAOYSA-N
XLogP0.69
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenoxy-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 55021450
N-(hydroxymethyl)-2-phenoxyacetamide
CID 12769641
2-phenoxy-N-(pyridin-2-ylmethyl)acetamide
CID 853197
2-(4-aminophenoxy)-N-[(2-bromophenyl)methyl]acetamide
CID 61401671
N-[(2,4-difluorophenyl)methyl]-2-phenoxyacetamide
CID 110782203
N-[(5-amino-1H-pyrazol-4-yl)methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 103120944
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-phenoxyacetamide
CID 42352426
N-[(5-amino-1H-pyrazol-4-yl)methyl]-2,2-dimethylpropanamide
CID 79529836
N-[(5-amino-1H-pyrazol-4-yl)methyl]-4-chlorobenzamide
CID 79530127
N-[(5-amino-1H-pyrazol-4-yl)methyl]-3,4-dichlorobenzamide
CID 79530307
2-phenoxy-N-[(6-pyridin-2-yl-3-pyridinyl)methyl]acetamide
CID 110714395
N-[(2-methoxyphenyl)methyl]-2-(4-phenoxyphenoxy)acetamide
CID 7610854

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-phenoxyacetamide?
The IUPAC name of N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-phenoxyacetamide (CID 79530146) is N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-phenoxyacetamide?
The canonical SMILES for N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-phenoxyacetamide is Nc1[nH]ncc1CNC(=O)COc1ccccc1.
What is the InChIKey of N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-phenoxyacetamide?
The InChIKey is VRWZKJGZAFBBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c13-12-9(7-15-16-12)6-14-11(17)8-18-10-4-2-1-3-5-10/h1-5,7H,6,8H2,(H,14,17)(H3,13,15,16).
What are the key properties of N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-phenoxyacetamide?
N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-phenoxyacetamide has a molecular weight of 246.27 g/mol, XLogP of 0.69, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-phenoxyacetamide is sourced from PubChem (CID 79530146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).