N'-(1-ethylpyrazol-4-yl)-N-[2-(4-fluorophenyl)-2-methylpropyl]oxamide

C17H21FN4O2 — CID 71857090

IUPACN'-(1-ethylpyrazol-4-yl)-N-[2-(4-fluorophenyl)-2-methylpropyl]oxamide
SMILESCCn1cc(NC(=O)C(=O)NCC(C)(C)c2ccc(F)cc2)cn1
InChIInChI=1S/C17H21FN4O2/c1-4-22-10-14(9-20-22)21-16(24)15(23)19-11-17(2,3)12-5-7-13(18)8-6-12/h5-10H,4,11H2,1-3H3,(H,19,23)(H,21,24)
InChIKeyOLFFOUPIQKNUNO-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.07
Rot. Bonds5

About N'-(1-ethylpyrazol-4-yl)-N-[2-(4-fluorophenyl)-2-methylpropyl]oxamide

N'-(1-ethylpyrazol-4-yl)-N-[2-(4-fluorophenyl)-2-methylpropyl]oxamide (PubChem CID 71857090) has the molecular formula C17H21FN4O2 and a molecular weight of 332.38 g/mol. Its IUPAC name is N'-(1-ethylpyrazol-4-yl)-N-[2-(4-fluorophenyl)-2-methylpropyl]oxamide.

Molecular Properties

Compound NameN'-(1-ethylpyrazol-4-yl)-N-[2-(4-fluorophenyl)-2-methylpropyl]oxamide
PubChem CID71857090
Molecular FormulaC17H21FN4O2
Molecular Weight332.38 g/mol
Exact Mass332.16
IUPAC NameN'-(1-ethylpyrazol-4-yl)-N-[2-(4-fluorophenyl)-2-methylpropyl]oxamide
SMILESCCn1cc(NC(=O)C(=O)NCC(C)(C)c2ccc(F)cc2)cn1
InChIInChI=1S/C17H21FN4O2/c1-4-22-10-14(9-20-22)21-16(24)15(23)19-11-17(2,3)12-5-7-13(18)8-6-12/h5-10H,4,11H2,1-3H3,(H,19,23)(H,21,24)
InChIKeyOLFFOUPIQKNUNO-UHFFFAOYSA-N
XLogP2.07
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(1-ethylpyrazol-4-yl)-N-[2-(4-fluorophenyl)-2-methylpropyl]oxamide?
The IUPAC name of N'-(1-ethylpyrazol-4-yl)-N-[2-(4-fluorophenyl)-2-methylpropyl]oxamide (CID 71857090) is N'-(1-ethylpyrazol-4-yl)-N-[2-(4-fluorophenyl)-2-methylpropyl]oxamide.
What is the SMILES notation for N'-(1-ethylpyrazol-4-yl)-N-[2-(4-fluorophenyl)-2-methylpropyl]oxamide?
The canonical SMILES for N'-(1-ethylpyrazol-4-yl)-N-[2-(4-fluorophenyl)-2-methylpropyl]oxamide is CCn1cc(NC(=O)C(=O)NCC(C)(C)c2ccc(F)cc2)cn1.
What is the InChIKey of N'-(1-ethylpyrazol-4-yl)-N-[2-(4-fluorophenyl)-2-methylpropyl]oxamide?
The InChIKey is OLFFOUPIQKNUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O2/c1-4-22-10-14(9-20-22)21-16(24)15(23)19-11-17(2,3)12-5-7-13(18)8-6-12/h5-10H,4,11H2,1-3H3,(H,19,23)(H,21,24).
What are the key properties of N'-(1-ethylpyrazol-4-yl)-N-[2-(4-fluorophenyl)-2-methylpropyl]oxamide?
N'-(1-ethylpyrazol-4-yl)-N-[2-(4-fluorophenyl)-2-methylpropyl]oxamide has a molecular weight of 332.38 g/mol, XLogP of 2.07, 5 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-[2-(4-fluorophenyl)-2-methylpropyl]oxamide is sourced from PubChem (CID 71857090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).