N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-phenoxyacetamide

C15H19N3O2 — CID 42110604

IUPACN-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-phenoxyacetamide
SMILESCc1cc(NC(=O)COc2ccccc2)n(C(C)C)n1
InChIInChI=1S/C15H19N3O2/c1-11(2)18-14(9-12(3)17-18)16-15(19)10-20-13-7-5-4-6-8-13/h4-9,11H,10H2,1-3H3,(H,16,19)
InChIKeyPKBRNKQMPQIMRH-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.79
Rot. Bonds5

About N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-phenoxyacetamide

N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-phenoxyacetamide (PubChem CID 42110604) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-phenoxyacetamide
PubChem CID42110604
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-phenoxyacetamide
SMILESCc1cc(NC(=O)COc2ccccc2)n(C(C)C)n1
InChIInChI=1S/C15H19N3O2/c1-11(2)18-14(9-12(3)17-18)16-15(19)10-20-13-7-5-4-6-8-13/h4-9,11H,10H2,1-3H3,(H,16,19)
InChIKeyPKBRNKQMPQIMRH-UHFFFAOYSA-N
XLogP2.79
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(tert-butyl)-1-methyl-1H-pyrazol-5-yl]-N'-(2-methoxyphenyl)urea
CID 2811926
1H-Pyrazole-1-acetic acid, 3-[[2-(4-fluorophenoxy)acetyl]amino]-, ethyl ester
CID 5303475
N-(3-methyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-5-yl)-2-(p-tolyloxy)acetamide
CID 135752958
N-(5-methyl-2-phenyl-3-pyrazolyl)-2-phenoxyacetamide
CID 2310735
N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(2,4-dichlorophenoxy)acetamide
CID 2320429
2-(5-Anilino-3-methylpyrazol-1-yl)ethyl 2-phenoxyacetate
CID 2363277
N-{1-[1-(methoxyacetyl)-4-piperidinyl]-1H-pyrazol-5-yl}-3-phenoxypropanamide
CID 24817725
2-(2,4-dichlorophenoxy)-N-(1-isopropyl-3-methyl-1H-pyrazol-5-yl)acetamide
CID 42110588
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[2-methylpropyl-(2-phenoxyacetyl)amino]acetamide
CID 42733093
2-(2-bromophenoxy)-N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]acetamide
CID 46667913
1-(2-(phenoxymethyl)-6,7-dihydropyrazolo(1,5-a)pyrimidin-4(5H)-yl)ethanone
CID 122195692
1-[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]propan-1-one
CID 122195693

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-phenoxyacetamide?
The IUPAC name of N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-phenoxyacetamide (CID 42110604) is N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-phenoxyacetamide.
What is the SMILES notation for N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-phenoxyacetamide?
The canonical SMILES for N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-phenoxyacetamide is Cc1cc(NC(=O)COc2ccccc2)n(C(C)C)n1.
What is the InChIKey of N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-phenoxyacetamide?
The InChIKey is PKBRNKQMPQIMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-11(2)18-14(9-12(3)17-18)16-15(19)10-20-13-7-5-4-6-8-13/h4-9,11H,10H2,1-3H3,(H,16,19).
What are the key properties of N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-phenoxyacetamide?
N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-phenoxyacetamide has a molecular weight of 273.34 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-phenoxyacetamide is sourced from PubChem (CID 42110604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).