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

C15H19N3O2 — CID 171133241

IUPACN-butan-2-yl-2-(1-phenylpyrazol-3-yl)oxyacetamide
SMILESCCC(C)NC(=O)COc1ccn(-c2ccccc2)n1
InChIInChI=1S/C15H19N3O2/c1-3-12(2)16-14(19)11-20-15-9-10-18(17-15)13-7-5-4-6-8-13/h4-10,12H,3,11H2,1-2H3,(H,16,19)
InChIKeyYSTVURJNEFEYDV-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.17
Rot. Bonds6

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

N-butan-2-yl-2-(1-phenylpyrazol-3-yl)oxyacetamide (PubChem CID 171133241) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-butan-2-yl-2-(1-phenylpyrazol-3-yl)oxyacetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(1-phenylpyrazol-3-yl)oxyacetamide
PubChem CID171133241
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-butan-2-yl-2-(1-phenylpyrazol-3-yl)oxyacetamide
SMILESCCC(C)NC(=O)COc1ccn(-c2ccccc2)n1
InChIInChI=1S/C15H19N3O2/c1-3-12(2)16-14(19)11-20-15-9-10-18(17-15)13-7-5-4-6-8-13/h4-10,12H,3,11H2,1-2H3,(H,16,19)
InChIKeyYSTVURJNEFEYDV-UHFFFAOYSA-N
XLogP2.17
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-phenylpyrazol-3-yl)oxy-N-propan-2-ylacetamide
CID 100820004
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
N-[(2R)-butan-2-yl]-2-(4-phenoxyphenoxy)acetamide
CID 7611072
(2R)-N-[(2R)-butan-2-yl]-2-[(1-phenylpyrazol-3-yl)carbamoylamino]propanamide
CID 95239242
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate
CID 7557086
2-(2-bromophenoxy)-N-butan-2-ylacetamide
CID 19170000
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 4-oxo-3-phenylphthalazine-1-carboxylate
CID 2704505
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate
CID 2606581
3-methyl-2-[(1-phenylpyrazole-3-carbonyl)amino]pentanoic acid
CID 119211592

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(1-phenylpyrazol-3-yl)oxyacetamide?
The IUPAC name of N-butan-2-yl-2-(1-phenylpyrazol-3-yl)oxyacetamide (CID 171133241) is N-butan-2-yl-2-(1-phenylpyrazol-3-yl)oxyacetamide.
What is the SMILES notation for N-butan-2-yl-2-(1-phenylpyrazol-3-yl)oxyacetamide?
The canonical SMILES for N-butan-2-yl-2-(1-phenylpyrazol-3-yl)oxyacetamide is CCC(C)NC(=O)COc1ccn(-c2ccccc2)n1.
What is the InChIKey of N-butan-2-yl-2-(1-phenylpyrazol-3-yl)oxyacetamide?
The InChIKey is YSTVURJNEFEYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-3-12(2)16-14(19)11-20-15-9-10-18(17-15)13-7-5-4-6-8-13/h4-10,12H,3,11H2,1-2H3,(H,16,19).
What are the key properties of N-butan-2-yl-2-(1-phenylpyrazol-3-yl)oxyacetamide?
N-butan-2-yl-2-(1-phenylpyrazol-3-yl)oxyacetamide has a molecular weight of 273.34 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(1-phenylpyrazol-3-yl)oxyacetamide is sourced from PubChem (CID 171133241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).