2-(1-phenylpyrazol-3-yl)oxy-N-propan-2-ylacetamide

C14H17N3O2 — CID 100820004

IUPAC2-(1-phenylpyrazol-3-yl)oxy-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)COc1ccn(-c2ccccc2)n1
InChIInChI=1S/C14H17N3O2/c1-11(2)15-13(18)10-19-14-8-9-17(16-14)12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H,15,18)
InChIKeyPPBIQKLQWSAVEW-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.78
Rot. Bonds5

About 2-(1-phenylpyrazol-3-yl)oxy-N-propan-2-ylacetamide

2-(1-phenylpyrazol-3-yl)oxy-N-propan-2-ylacetamide (PubChem CID 100820004) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-(1-phenylpyrazol-3-yl)oxy-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(1-phenylpyrazol-3-yl)oxy-N-propan-2-ylacetamide
PubChem CID100820004
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-(1-phenylpyrazol-3-yl)oxy-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)COc1ccn(-c2ccccc2)n1
InChIInChI=1S/C14H17N3O2/c1-11(2)15-13(18)10-19-14-8-9-17(16-14)12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H,15,18)
InChIKeyPPBIQKLQWSAVEW-UHFFFAOYSA-N
XLogP1.78
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 ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-2-(1-phenylpyrazol-3-yl)oxyacetamide
CID 171133241
2-(1-phenylpyrazol-3-yl)oxy-N-prop-2-enylacetamide
CID 100820037
N-(3-hydroxypropyl)-2-(1-phenylpyrazol-3-yl)oxyacetamide
CID 100820014
N-(5-methyl-2-pyridinyl)-2-(1-phenylpyrazol-3-yl)oxyacetamide
CID 100820011
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-(1-phenylpyrazol-3-yl)oxyacetamide
CID 100820000
2-phenoxy-N-propan-2-ylacetamide
CID 3614481
(2S)-N-cyclopentyl-2-(1-phenylpyrazol-3-yl)oxypropanamide
CID 100819947
1-phenyl-3-propan-2-yloxypyrazole
CID 176705910
(2R)-N-phenyl-2-(1-phenylpyrazol-3-yl)oxypropanamide
CID 100819963
(2R)-N-benzyl-2-(1-phenylpyrazol-3-yl)oxypropanamide
CID 100819911
3-methyl-N-(1-phenylpyrazol-3-yl)butanamide
CID 110470740
(2R)-2-(1-phenylpyrazol-3-yl)oxy-N-prop-2-enylpropanamide
CID 100828979

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylpyrazol-3-yl)oxy-N-propan-2-ylacetamide?
The IUPAC name of 2-(1-phenylpyrazol-3-yl)oxy-N-propan-2-ylacetamide (CID 100820004) is 2-(1-phenylpyrazol-3-yl)oxy-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(1-phenylpyrazol-3-yl)oxy-N-propan-2-ylacetamide?
The canonical SMILES for 2-(1-phenylpyrazol-3-yl)oxy-N-propan-2-ylacetamide is CC(C)NC(=O)COc1ccn(-c2ccccc2)n1.
What is the InChIKey of 2-(1-phenylpyrazol-3-yl)oxy-N-propan-2-ylacetamide?
The InChIKey is PPBIQKLQWSAVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-11(2)15-13(18)10-19-14-8-9-17(16-14)12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H,15,18).
What are the key properties of 2-(1-phenylpyrazol-3-yl)oxy-N-propan-2-ylacetamide?
2-(1-phenylpyrazol-3-yl)oxy-N-propan-2-ylacetamide has a molecular weight of 259.31 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylpyrazol-3-yl)oxy-N-propan-2-ylacetamide is sourced from PubChem (CID 100820004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).