5-chloro-2-(3,5-diethylpyrazol-1-yl)-N'-hydroxybenzenecarboximidamide

C14H17ClN4O — CID 82693817

IUPAC5-chloro-2-(3,5-diethylpyrazol-1-yl)-N'-hydroxybenzenecarboximidamide
SMILESCCc1cc(CC)n(-c2ccc(Cl)cc2/C(N)=N/O)n1
InChIInChI=1S/C14H17ClN4O/c1-3-10-8-11(4-2)19(17-10)13-6-5-9(15)7-12(13)14(16)18-20/h5-8,20H,3-4H2,1-2H3,(H2,16,18)
InChIKeyZUMCTLYGKHNBSE-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.74
Rot. Bonds4

About 5-chloro-2-(3,5-diethylpyrazol-1-yl)-N'-hydroxybenzenecarboximidamide

5-chloro-2-(3,5-diethylpyrazol-1-yl)-N'-hydroxybenzenecarboximidamide (PubChem CID 82693817) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is 5-chloro-2-(3,5-diethylpyrazol-1-yl)-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name5-chloro-2-(3,5-diethylpyrazol-1-yl)-N'-hydroxybenzenecarboximidamide
PubChem CID82693817
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Name5-chloro-2-(3,5-diethylpyrazol-1-yl)-N'-hydroxybenzenecarboximidamide
SMILESCCc1cc(CC)n(-c2ccc(Cl)cc2/C(N)=N/O)n1
InChIInChI=1S/C14H17ClN4O/c1-3-10-8-11(4-2)19(17-10)13-6-5-9(15)7-12(13)14(16)18-20/h5-8,20H,3-4H2,1-2H3,(H2,16,18)
InChIKeyZUMCTLYGKHNBSE-UHFFFAOYSA-N
XLogP2.74
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.74
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 5-chloro-2-(3,5-diethylpyrazol-1-yl)-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 5-chloro-2-(3,5-diethylpyrazol-1-yl)-N'-hydroxybenzenecarboximidamide (CID 82693817) is 5-chloro-2-(3,5-diethylpyrazol-1-yl)-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 5-chloro-2-(3,5-diethylpyrazol-1-yl)-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 5-chloro-2-(3,5-diethylpyrazol-1-yl)-N'-hydroxybenzenecarboximidamide is CCc1cc(CC)n(-c2ccc(Cl)cc2/C(N)=N/O)n1.
What is the InChIKey of 5-chloro-2-(3,5-diethylpyrazol-1-yl)-N'-hydroxybenzenecarboximidamide?
The InChIKey is ZUMCTLYGKHNBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O/c1-3-10-8-11(4-2)19(17-10)13-6-5-9(15)7-12(13)14(16)18-20/h5-8,20H,3-4H2,1-2H3,(H2,16,18).
What are the key properties of 5-chloro-2-(3,5-diethylpyrazol-1-yl)-N'-hydroxybenzenecarboximidamide?
5-chloro-2-(3,5-diethylpyrazol-1-yl)-N'-hydroxybenzenecarboximidamide has a molecular weight of 292.77 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(3,5-diethylpyrazol-1-yl)-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 82693817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).