N'-hydroxy-2-methoxy-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]benzenecarboximidamide

C15H20N4O2 — CID 106790205

IUPACN'-hydroxy-2-methoxy-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]benzenecarboximidamide
SMILESCOc1cc(Cn2nc(C)c(C)c2C)ccc1/C(N)=N/O
InChIInChI=1S/C15H20N4O2/c1-9-10(2)17-19(11(9)3)8-12-5-6-13(15(16)18-20)14(7-12)21-4/h5-7,20H,8H2,1-4H3,(H2,16,18)
InChIKeyLALIZZGLTZJFSA-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.96
Rot. Bonds4

About N'-hydroxy-2-methoxy-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]benzenecarboximidamide

N'-hydroxy-2-methoxy-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]benzenecarboximidamide (PubChem CID 106790205) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is N'-hydroxy-2-methoxy-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methoxy-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]benzenecarboximidamide
PubChem CID106790205
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC NameN'-hydroxy-2-methoxy-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]benzenecarboximidamide
SMILESCOc1cc(Cn2nc(C)c(C)c2C)ccc1/C(N)=N/O
InChIInChI=1S/C15H20N4O2/c1-9-10(2)17-19(11(9)3)8-12-5-6-13(15(16)18-20)14(7-12)21-4/h5-7,20H,8H2,1-4H3,(H2,16,18)
InChIKeyLALIZZGLTZJFSA-UHFFFAOYSA-N
XLogP1.96
TPSA85.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.96
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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Related Compounds

2-methoxy-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]aniline
CID 61225934
2-methoxy-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]benzenecarboximidamide
CID 65340092
4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 106790134
methyl 2-fluoro-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]benzoate
CID 103864158
1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazole-4-carboxylic acid
CID 43565512
N-[1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2,4-dimethoxybenzamide
CID 19341335
N'-hydroxy-2-methoxy-4-[(3-methylpiperidin-1-yl)methyl]benzenecarboximidamide
CID 106789288
N'-hydroxy-2-methoxy-4-(2-methylpropoxymethyl)benzenecarboximidamide
CID 106790281
N'-hydroxy-2-methoxy-4-(3-methoxypropoxymethyl)benzenecarboximidamide
CID 106790372
4-[(2,2-dimethylmorpholin-4-yl)methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 106789334
N'-hydroxy-2-methoxy-4-[(2-methylmorpholin-4-yl)methyl]benzenecarboximidamide
CID 106789290
[4-[(3,4,5-trimethylpyrazol-1-yl)methyl]phenyl]boronic acid
CID 54970589

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methoxy-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-2-methoxy-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]benzenecarboximidamide (CID 106790205) is N'-hydroxy-2-methoxy-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-2-methoxy-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-2-methoxy-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]benzenecarboximidamide is COc1cc(Cn2nc(C)c(C)c2C)ccc1/C(N)=N/O.
What is the InChIKey of N'-hydroxy-2-methoxy-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]benzenecarboximidamide?
The InChIKey is LALIZZGLTZJFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-9-10(2)17-19(11(9)3)8-12-5-6-13(15(16)18-20)14(7-12)21-4/h5-7,20H,8H2,1-4H3,(H2,16,18).
What are the key properties of N'-hydroxy-2-methoxy-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]benzenecarboximidamide?
N'-hydroxy-2-methoxy-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]benzenecarboximidamide has a molecular weight of 288.35 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methoxy-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]benzenecarboximidamide is sourced from PubChem (CID 106790205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).