2-[(3,5-diethylpyrazol-1-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide

C11H17F3N4O — CID 103370301

IUPAC2-[(3,5-diethylpyrazol-1-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
SMILESCCc1cc(CC)n(CC(/C(N)=N/O)C(F)(F)F)n1
InChIInChI=1S/C11H17F3N4O/c1-3-7-5-8(4-2)18(16-7)6-9(10(15)17-19)11(12,13)14/h5,9,19H,3-4,6H2,1-2H3,(H2,15,17)
InChIKeyMBBBLFZJIWYLPU-UHFFFAOYSA-N
MW278.28 g/mol
LogP1.93
Rot. Bonds5

About 2-[(3,5-diethylpyrazol-1-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide

2-[(3,5-diethylpyrazol-1-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide (PubChem CID 103370301) has the molecular formula C11H17F3N4O and a molecular weight of 278.28 g/mol. Its IUPAC name is 2-[(3,5-diethylpyrazol-1-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[(3,5-diethylpyrazol-1-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
PubChem CID103370301
Molecular FormulaC11H17F3N4O
Molecular Weight278.28 g/mol
Exact Mass278.14
IUPAC Name2-[(3,5-diethylpyrazol-1-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
SMILESCCc1cc(CC)n(CC(/C(N)=N/O)C(F)(F)F)n1
InChIInChI=1S/C11H17F3N4O/c1-3-7-5-8(4-2)18(16-7)6-9(10(15)17-19)11(12,13)14/h5,9,19H,3-4,6H2,1-2H3,(H2,15,17)
InChIKeyMBBBLFZJIWYLPU-UHFFFAOYSA-N
XLogP1.93
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(3,5-diethylpyrazol-1-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-diethylpyrazol-1-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The IUPAC name of 2-[(3,5-diethylpyrazol-1-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide (CID 103370301) is 2-[(3,5-diethylpyrazol-1-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[(3,5-diethylpyrazol-1-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[(3,5-diethylpyrazol-1-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide is CCc1cc(CC)n(CC(/C(N)=N/O)C(F)(F)F)n1.
What is the InChIKey of 2-[(3,5-diethylpyrazol-1-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The InChIKey is MBBBLFZJIWYLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4O/c1-3-7-5-8(4-2)18(16-7)6-9(10(15)17-19)11(12,13)14/h5,9,19H,3-4,6H2,1-2H3,(H2,15,17).
What are the key properties of 2-[(3,5-diethylpyrazol-1-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
2-[(3,5-diethylpyrazol-1-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide has a molecular weight of 278.28 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-diethylpyrazol-1-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide is sourced from PubChem (CID 103370301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).