N'-hydroxy-4-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methoxy]benzenecarboximidamide

C15H20N4O2 — CID 107656724

IUPACN'-hydroxy-4-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methoxy]benzenecarboximidamide
SMILESCc1ccc(/C(N)=N/O)cc1OCc1ccn(C(C)C)n1
InChIInChI=1S/C15H20N4O2/c1-10(2)19-7-6-13(17-19)9-21-14-8-12(15(16)18-20)5-4-11(14)3/h4-8,10,20H,9H2,1-3H3,(H2,16,18)
InChIKeySUMBUJGPINARLO-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.45
Rot. Bonds5

About N'-hydroxy-4-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methoxy]benzenecarboximidamide

N'-hydroxy-4-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methoxy]benzenecarboximidamide (PubChem CID 107656724) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is N'-hydroxy-4-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methoxy]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methoxy]benzenecarboximidamide
PubChem CID107656724
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC NameN'-hydroxy-4-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methoxy]benzenecarboximidamide
SMILESCc1ccc(/C(N)=N/O)cc1OCc1ccn(C(C)C)n1
InChIInChI=1S/C15H20N4O2/c1-10(2)19-7-6-13(17-19)9-21-14-8-12(15(16)18-20)5-4-11(14)3/h4-8,10,20H,9H2,1-3H3,(H2,16,18)
InChIKeySUMBUJGPINARLO-UHFFFAOYSA-N
XLogP2.45
TPSA85.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 N'-hydroxy-4-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methoxy]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methoxy]benzenecarboximidamide (CID 107656724) is N'-hydroxy-4-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methoxy]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methoxy]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methoxy]benzenecarboximidamide is Cc1ccc(/C(N)=N/O)cc1OCc1ccn(C(C)C)n1.
What is the InChIKey of N'-hydroxy-4-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methoxy]benzenecarboximidamide?
The InChIKey is SUMBUJGPINARLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-10(2)19-7-6-13(17-19)9-21-14-8-12(15(16)18-20)5-4-11(14)3/h4-8,10,20H,9H2,1-3H3,(H2,16,18).
What are the key properties of N'-hydroxy-4-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methoxy]benzenecarboximidamide?
N'-hydroxy-4-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methoxy]benzenecarboximidamide has a molecular weight of 288.35 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methoxy]benzenecarboximidamide is sourced from PubChem (CID 107656724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).