N'-(1-ethylpyrazol-4-yl)-N-(3-propan-2-ylphenyl)oxamide

C16H20N4O2 — CID 60551908

IUPACN'-(1-ethylpyrazol-4-yl)-N-(3-propan-2-ylphenyl)oxamide
SMILESCCn1cc(NC(=O)C(=O)Nc2cccc(C(C)C)c2)cn1
InChIInChI=1S/C16H20N4O2/c1-4-20-10-14(9-17-20)19-16(22)15(21)18-13-7-5-6-12(8-13)11(2)3/h5-11H,4H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyOGWKJWWIOYBSQL-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.60
Rot. Bonds4

About N'-(1-ethylpyrazol-4-yl)-N-(3-propan-2-ylphenyl)oxamide

N'-(1-ethylpyrazol-4-yl)-N-(3-propan-2-ylphenyl)oxamide (PubChem CID 60551908) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N'-(1-ethylpyrazol-4-yl)-N-(3-propan-2-ylphenyl)oxamide.

Molecular Properties

Compound NameN'-(1-ethylpyrazol-4-yl)-N-(3-propan-2-ylphenyl)oxamide
PubChem CID60551908
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN'-(1-ethylpyrazol-4-yl)-N-(3-propan-2-ylphenyl)oxamide
SMILESCCn1cc(NC(=O)C(=O)Nc2cccc(C(C)C)c2)cn1
InChIInChI=1S/C16H20N4O2/c1-4-20-10-14(9-17-20)19-16(22)15(21)18-13-7-5-6-12(8-13)11(2)3/h5-11H,4H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyOGWKJWWIOYBSQL-UHFFFAOYSA-N
XLogP2.60
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-2-[4-[(3-propan-2-ylphenyl)carbamoylamino]pyrazol-1-yl]acetamide
CID 56793742
1-(3-aminophenyl)-3-(1-ethylpyrazol-4-yl)urea
CID 43543950
2-amino-N-(1-ethylpyrazol-4-yl)-2-phenylacetamide
CID 43543649
1-(1-ethylpyrazol-4-yl)-3-(1-pyridin-4-ylethyl)urea
CID 47200410
1-[4-(1-aminoethyl)phenyl]-3-(1-ethylpyrazol-4-yl)urea
CID 61339861
ethyl 2-[(1-ethylpyrazol-4-yl)amino]-2-oxoacetate
CID 60893384
4-[(1-ethylpyrazol-4-yl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76991438
N-(1-ethylpyrazol-4-yl)-N'-[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]oxamide
CID 167919378
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N'-(3-propan-2-ylphenyl)oxamide
CID 111629836
(E)-2-methyl-N-(3-propan-2-ylphenyl)but-2-enamide
CID 142547817
N-(1-ethylpyrazol-4-yl)-3-methyl-2-sulfanylbutanamide
CID 107022932
1-ethyl-3-(1-ethylpyrazol-4-yl)urea
CID 115581870

Frequently Asked Questions

What is the IUPAC name of N'-(1-ethylpyrazol-4-yl)-N-(3-propan-2-ylphenyl)oxamide?
The IUPAC name of N'-(1-ethylpyrazol-4-yl)-N-(3-propan-2-ylphenyl)oxamide (CID 60551908) is N'-(1-ethylpyrazol-4-yl)-N-(3-propan-2-ylphenyl)oxamide.
What is the SMILES notation for N'-(1-ethylpyrazol-4-yl)-N-(3-propan-2-ylphenyl)oxamide?
The canonical SMILES for N'-(1-ethylpyrazol-4-yl)-N-(3-propan-2-ylphenyl)oxamide is CCn1cc(NC(=O)C(=O)Nc2cccc(C(C)C)c2)cn1.
What is the InChIKey of N'-(1-ethylpyrazol-4-yl)-N-(3-propan-2-ylphenyl)oxamide?
The InChIKey is OGWKJWWIOYBSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-4-20-10-14(9-17-20)19-16(22)15(21)18-13-7-5-6-12(8-13)11(2)3/h5-11H,4H2,1-3H3,(H,18,21)(H,19,22).
What are the key properties of N'-(1-ethylpyrazol-4-yl)-N-(3-propan-2-ylphenyl)oxamide?
N'-(1-ethylpyrazol-4-yl)-N-(3-propan-2-ylphenyl)oxamide has a molecular weight of 300.36 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-ethylpyrazol-4-yl)-N-(3-propan-2-ylphenyl)oxamide is sourced from PubChem (CID 60551908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).