N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N'-(4-hydroxyphenyl)oxamide

C16H20N4O3 — CID 45493739

IUPACN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N'-(4-hydroxyphenyl)oxamide
SMILESCCn1nc(C)c(CNC(=O)C(=O)Nc2ccc(O)cc2)c1C
InChIInChI=1S/C16H20N4O3/c1-4-20-11(3)14(10(2)19-20)9-17-15(22)16(23)18-12-5-7-13(21)8-6-12/h5-8,21H,4,9H2,1-3H3,(H,17,22)(H,18,23)
InChIKeyUFCXXTXFJBTWCN-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.48
Rot. Bonds4

About N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N'-(4-hydroxyphenyl)oxamide

N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N'-(4-hydroxyphenyl)oxamide (PubChem CID 45493739) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N'-(4-hydroxyphenyl)oxamide.

Molecular Properties

Compound NameN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N'-(4-hydroxyphenyl)oxamide
PubChem CID45493739
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC NameN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N'-(4-hydroxyphenyl)oxamide
SMILESCCn1nc(C)c(CNC(=O)C(=O)Nc2ccc(O)cc2)c1C
InChIInChI=1S/C16H20N4O3/c1-4-20-11(3)14(10(2)19-20)9-17-15(22)16(23)18-12-5-7-13(21)8-6-12/h5-8,21H,4,9H2,1-3H3,(H,17,22)(H,18,23)
InChIKeyUFCXXTXFJBTWCN-UHFFFAOYSA-N
XLogP1.48
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N'-(4-hydroxyphenyl)oxamide?
The IUPAC name of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N'-(4-hydroxyphenyl)oxamide (CID 45493739) is N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N'-(4-hydroxyphenyl)oxamide.
What is the SMILES notation for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N'-(4-hydroxyphenyl)oxamide?
The canonical SMILES for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N'-(4-hydroxyphenyl)oxamide is CCn1nc(C)c(CNC(=O)C(=O)Nc2ccc(O)cc2)c1C.
What is the InChIKey of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N'-(4-hydroxyphenyl)oxamide?
The InChIKey is UFCXXTXFJBTWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-4-20-11(3)14(10(2)19-20)9-17-15(22)16(23)18-12-5-7-13(21)8-6-12/h5-8,21H,4,9H2,1-3H3,(H,17,22)(H,18,23).
What are the key properties of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N'-(4-hydroxyphenyl)oxamide?
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N'-(4-hydroxyphenyl)oxamide has a molecular weight of 316.36 g/mol, XLogP of 1.48, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N'-(4-hydroxyphenyl)oxamide is sourced from PubChem (CID 45493739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).