N-(2-methylpropyl)-N'-[3-(2-pyrazol-1-ylethoxy)phenyl]oxamide

C17H22N4O3 — CID 87039258

IUPACN-(2-methylpropyl)-N'-[3-(2-pyrazol-1-ylethoxy)phenyl]oxamide
SMILESCC(C)CNC(=O)C(=O)Nc1cccc(OCCn2cccn2)c1
InChIInChI=1S/C17H22N4O3/c1-13(2)12-18-16(22)17(23)20-14-5-3-6-15(11-14)24-10-9-21-8-4-7-19-21/h3-8,11,13H,9-10,12H2,1-2H3,(H,18,22)(H,20,23)
InChIKeyJWRTWBFIQNWKRU-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.67
Rot. Bonds7

About N-(2-methylpropyl)-N'-[3-(2-pyrazol-1-ylethoxy)phenyl]oxamide

N-(2-methylpropyl)-N'-[3-(2-pyrazol-1-ylethoxy)phenyl]oxamide (PubChem CID 87039258) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-(2-methylpropyl)-N'-[3-(2-pyrazol-1-ylethoxy)phenyl]oxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-N'-[3-(2-pyrazol-1-ylethoxy)phenyl]oxamide
PubChem CID87039258
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC NameN-(2-methylpropyl)-N'-[3-(2-pyrazol-1-ylethoxy)phenyl]oxamide
SMILESCC(C)CNC(=O)C(=O)Nc1cccc(OCCn2cccn2)c1
InChIInChI=1S/C17H22N4O3/c1-13(2)12-18-16(22)17(23)20-14-5-3-6-15(11-14)24-10-9-21-8-4-7-19-21/h3-8,11,13H,9-10,12H2,1-2H3,(H,18,22)(H,20,23)
InChIKeyJWRTWBFIQNWKRU-UHFFFAOYSA-N
XLogP1.67
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2,2-dimethyl-3-phenylpropyl)-N'-[3-(2-pyrazol-1-ylethoxy)phenyl]oxamide
CID 86967474
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[3-(2-pyrazol-1-ylethoxy)phenyl]propanamide
CID 55968780
2-fluoro-N-[3-methyl-1-oxo-1-[3-(2-pyrazol-1-ylethoxy)anilino]butan-2-yl]benzamide
CID 55767418
4-phenyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]benzamide
CID 55767479
1-[(2,4-dimethylphenyl)methyl]-3-[3-(2-pyrazol-1-ylethoxy)phenyl]urea
CID 55836723
1-(2-phenyl-2-pyrrolidin-1-ylethyl)-3-[3-(2-pyrazol-1-ylethoxy)phenyl]urea
CID 55835952
4-fluoro-N-[2-oxo-2-[3-(2-pyrazol-1-ylethoxy)anilino]ethyl]benzamide
CID 55766765
tert-butyl N-[3-[[3-(2-pyrazol-1-ylethoxy)phenyl]carbamoyl]phenyl]carbamate
CID 55766558
1-[3-(2-pyrazol-1-ylethoxy)phenyl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea
CID 55836595
4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]piperazine-1-carboxamide
CID 55835823
3-(5-methylthiophen-2-yl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]prop-2-enamide
CID 55767322
1-benzyl-1-[(1R)-1-cyclopropylethyl]-3-[3-(2-pyrazol-1-ylethoxy)phenyl]urea
CID 95157995

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-N'-[3-(2-pyrazol-1-ylethoxy)phenyl]oxamide?
The IUPAC name of N-(2-methylpropyl)-N'-[3-(2-pyrazol-1-ylethoxy)phenyl]oxamide (CID 87039258) is N-(2-methylpropyl)-N'-[3-(2-pyrazol-1-ylethoxy)phenyl]oxamide.
What is the SMILES notation for N-(2-methylpropyl)-N'-[3-(2-pyrazol-1-ylethoxy)phenyl]oxamide?
The canonical SMILES for N-(2-methylpropyl)-N'-[3-(2-pyrazol-1-ylethoxy)phenyl]oxamide is CC(C)CNC(=O)C(=O)Nc1cccc(OCCn2cccn2)c1.
What is the InChIKey of N-(2-methylpropyl)-N'-[3-(2-pyrazol-1-ylethoxy)phenyl]oxamide?
The InChIKey is JWRTWBFIQNWKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-13(2)12-18-16(22)17(23)20-14-5-3-6-15(11-14)24-10-9-21-8-4-7-19-21/h3-8,11,13H,9-10,12H2,1-2H3,(H,18,22)(H,20,23).
What are the key properties of N-(2-methylpropyl)-N'-[3-(2-pyrazol-1-ylethoxy)phenyl]oxamide?
N-(2-methylpropyl)-N'-[3-(2-pyrazol-1-ylethoxy)phenyl]oxamide has a molecular weight of 330.39 g/mol, XLogP of 1.67, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N'-[3-(2-pyrazol-1-ylethoxy)phenyl]oxamide is sourced from PubChem (CID 87039258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).