N-(2,4-difluorophenyl)-N'-(5-methoxy-1,3-dimethylpyrazol-4-yl)oxamide

C14H14F2N4O3 — CID 71846877

IUPACN-(2,4-difluorophenyl)-N'-(5-methoxy-1,3-dimethylpyrazol-4-yl)oxamide
SMILESCOc1c(NC(=O)C(=O)Nc2ccc(F)cc2F)c(C)nn1C
InChIInChI=1S/C14H14F2N4O3/c1-7-11(14(23-3)20(2)19-7)18-13(22)12(21)17-10-5-4-8(15)6-9(10)16/h4-6H,1-3H3,(H,17,21)(H,18,22)
InChIKeyXVIXHJQGXCQSQI-UHFFFAOYSA-N
MW324.29 g/mol
LogP1.59
Rot. Bonds3

About N-(2,4-difluorophenyl)-N'-(5-methoxy-1,3-dimethylpyrazol-4-yl)oxamide

N-(2,4-difluorophenyl)-N'-(5-methoxy-1,3-dimethylpyrazol-4-yl)oxamide (PubChem CID 71846877) has the molecular formula C14H14F2N4O3 and a molecular weight of 324.29 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-N'-(5-methoxy-1,3-dimethylpyrazol-4-yl)oxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-N'-(5-methoxy-1,3-dimethylpyrazol-4-yl)oxamide
PubChem CID71846877
Molecular FormulaC14H14F2N4O3
Molecular Weight324.29 g/mol
Exact Mass324.10
IUPAC NameN-(2,4-difluorophenyl)-N'-(5-methoxy-1,3-dimethylpyrazol-4-yl)oxamide
SMILESCOc1c(NC(=O)C(=O)Nc2ccc(F)cc2F)c(C)nn1C
InChIInChI=1S/C14H14F2N4O3/c1-7-11(14(23-3)20(2)19-7)18-13(22)12(21)17-10-5-4-8(15)6-9(10)16/h4-6H,1-3H3,(H,17,21)(H,18,22)
InChIKeyXVIXHJQGXCQSQI-UHFFFAOYSA-N
XLogP1.59
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.29
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(2,4-difluorophenyl)-N'-(5-methoxy-1,3-dimethylpyrazol-4-yl)oxamide?
The IUPAC name of N-(2,4-difluorophenyl)-N'-(5-methoxy-1,3-dimethylpyrazol-4-yl)oxamide (CID 71846877) is N-(2,4-difluorophenyl)-N'-(5-methoxy-1,3-dimethylpyrazol-4-yl)oxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-N'-(5-methoxy-1,3-dimethylpyrazol-4-yl)oxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-N'-(5-methoxy-1,3-dimethylpyrazol-4-yl)oxamide is COc1c(NC(=O)C(=O)Nc2ccc(F)cc2F)c(C)nn1C.
What is the InChIKey of N-(2,4-difluorophenyl)-N'-(5-methoxy-1,3-dimethylpyrazol-4-yl)oxamide?
The InChIKey is XVIXHJQGXCQSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N4O3/c1-7-11(14(23-3)20(2)19-7)18-13(22)12(21)17-10-5-4-8(15)6-9(10)16/h4-6H,1-3H3,(H,17,21)(H,18,22).
What are the key properties of N-(2,4-difluorophenyl)-N'-(5-methoxy-1,3-dimethylpyrazol-4-yl)oxamide?
N-(2,4-difluorophenyl)-N'-(5-methoxy-1,3-dimethylpyrazol-4-yl)oxamide has a molecular weight of 324.29 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-N'-(5-methoxy-1,3-dimethylpyrazol-4-yl)oxamide is sourced from PubChem (CID 71846877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).