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

C15H20N4O — CID 82695186

IUPAC2-[(3,5-diethylpyrazol-1-yl)methyl]-N'-hydroxybenzenecarboximidamide
SMILESCCc1cc(CC)n(Cc2ccccc2/C(N)=N/O)n1
InChIInChI=1S/C15H20N4O/c1-3-12-9-13(4-2)19(17-12)10-11-7-5-6-8-14(11)15(16)18-20/h5-9,20H,3-4,10H2,1-2H3,(H2,16,18)
InChIKeyJIRKNZIRBITMLO-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.15
Rot. Bonds5

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

2-[(3,5-diethylpyrazol-1-yl)methyl]-N'-hydroxybenzenecarboximidamide (PubChem CID 82695186) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[(3,5-diethylpyrazol-1-yl)methyl]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-[(3,5-diethylpyrazol-1-yl)methyl]-N'-hydroxybenzenecarboximidamide
PubChem CID82695186
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-[(3,5-diethylpyrazol-1-yl)methyl]-N'-hydroxybenzenecarboximidamide
SMILESCCc1cc(CC)n(Cc2ccccc2/C(N)=N/O)n1
InChIInChI=1S/C15H20N4O/c1-3-12-9-13(4-2)19(17-12)10-11-7-5-6-8-14(11)15(16)18-20/h5-9,20H,3-4,10H2,1-2H3,(H2,16,18)
InChIKeyJIRKNZIRBITMLO-UHFFFAOYSA-N
XLogP2.15
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.15
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-diethylpyrazol-1-yl)methyl]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-[(3,5-diethylpyrazol-1-yl)methyl]-N'-hydroxybenzenecarboximidamide (CID 82695186) is 2-[(3,5-diethylpyrazol-1-yl)methyl]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-[(3,5-diethylpyrazol-1-yl)methyl]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-[(3,5-diethylpyrazol-1-yl)methyl]-N'-hydroxybenzenecarboximidamide is CCc1cc(CC)n(Cc2ccccc2/C(N)=N/O)n1.
What is the InChIKey of 2-[(3,5-diethylpyrazol-1-yl)methyl]-N'-hydroxybenzenecarboximidamide?
The InChIKey is JIRKNZIRBITMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-3-12-9-13(4-2)19(17-12)10-11-7-5-6-8-14(11)15(16)18-20/h5-9,20H,3-4,10H2,1-2H3,(H2,16,18).
What are the key properties of 2-[(3,5-diethylpyrazol-1-yl)methyl]-N'-hydroxybenzenecarboximidamide?
2-[(3,5-diethylpyrazol-1-yl)methyl]-N'-hydroxybenzenecarboximidamide has a molecular weight of 272.35 g/mol, XLogP of 2.15, 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]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 82695186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).