N-(3-hydroxypropyl)-2-(1-phenylpyrazol-3-yl)oxyacetamide

C14H17N3O3 — CID 100820014

IUPACN-(3-hydroxypropyl)-2-(1-phenylpyrazol-3-yl)oxyacetamide
SMILESO=C(COc1ccn(-c2ccccc2)n1)NCCCO
InChIInChI=1S/C14H17N3O3/c18-10-4-8-15-13(19)11-20-14-7-9-17(16-14)12-5-2-1-3-6-12/h1-3,5-7,9,18H,4,8,10-11H2,(H,15,19)
InChIKeyLCHJTBAHRKAIDM-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.75
Rot. Bonds7

About N-(3-hydroxypropyl)-2-(1-phenylpyrazol-3-yl)oxyacetamide

N-(3-hydroxypropyl)-2-(1-phenylpyrazol-3-yl)oxyacetamide (PubChem CID 100820014) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-2-(1-phenylpyrazol-3-yl)oxyacetamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-2-(1-phenylpyrazol-3-yl)oxyacetamide
PubChem CID100820014
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC NameN-(3-hydroxypropyl)-2-(1-phenylpyrazol-3-yl)oxyacetamide
SMILESO=C(COc1ccn(-c2ccccc2)n1)NCCCO
InChIInChI=1S/C14H17N3O3/c18-10-4-8-15-13(19)11-20-14-7-9-17(16-14)12-5-2-1-3-6-12/h1-3,5-7,9,18H,4,8,10-11H2,(H,15,19)
InChIKeyLCHJTBAHRKAIDM-UHFFFAOYSA-N
XLogP0.75
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(1-phenylpyrazol-3-yl)oxy-N-prop-2-enylacetamide
CID 100820037
2-(1-phenylpyrazol-3-yl)oxy-N-propan-2-ylacetamide
CID 100820004
N-butan-2-yl-2-(1-phenylpyrazol-3-yl)oxyacetamide
CID 171133241
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-(1-phenylpyrazol-3-yl)oxyacetamide
CID 100820000
N-(5-methyl-2-pyridinyl)-2-(1-phenylpyrazol-3-yl)oxyacetamide
CID 100820011
N-(4-hydroxybutyl)-1-phenylpyrazole-3-carboxamide
CID 106843256
N-[3-(2-fluorophenyl)propyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide
CID 171138786
N-(3-hydroxypropyl)-2-(4-iodophenoxy)acetamide
CID 78798070
2-(1-phenylpyrazol-3-yl)oxy-N-(2-pyridin-2-ylethyl)propanamide
CID 102567154
N-[3-(2-methoxyphenyl)propyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide
CID 171138808
N-(4-hydroxybutyl)-2-(2-hydroxyphenoxy)acetamide
CID 106843375
2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-[3-(2-fluorophenyl)propyl]acetamide
CID 100829206

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-2-(1-phenylpyrazol-3-yl)oxyacetamide?
The IUPAC name of N-(3-hydroxypropyl)-2-(1-phenylpyrazol-3-yl)oxyacetamide (CID 100820014) is N-(3-hydroxypropyl)-2-(1-phenylpyrazol-3-yl)oxyacetamide.
What is the SMILES notation for N-(3-hydroxypropyl)-2-(1-phenylpyrazol-3-yl)oxyacetamide?
The canonical SMILES for N-(3-hydroxypropyl)-2-(1-phenylpyrazol-3-yl)oxyacetamide is O=C(COc1ccn(-c2ccccc2)n1)NCCCO.
What is the InChIKey of N-(3-hydroxypropyl)-2-(1-phenylpyrazol-3-yl)oxyacetamide?
The InChIKey is LCHJTBAHRKAIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c18-10-4-8-15-13(19)11-20-14-7-9-17(16-14)12-5-2-1-3-6-12/h1-3,5-7,9,18H,4,8,10-11H2,(H,15,19).
What are the key properties of N-(3-hydroxypropyl)-2-(1-phenylpyrazol-3-yl)oxyacetamide?
N-(3-hydroxypropyl)-2-(1-phenylpyrazol-3-yl)oxyacetamide has a molecular weight of 275.31 g/mol, XLogP of 0.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-2-(1-phenylpyrazol-3-yl)oxyacetamide is sourced from PubChem (CID 100820014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).