N'-hydroxy-3-methoxy-5-[(1-methylpyrazol-3-yl)methoxy]benzenecarboximidamide

C13H16N4O3 — CID 103567501

IUPACN'-hydroxy-3-methoxy-5-[(1-methylpyrazol-3-yl)methoxy]benzenecarboximidamide
SMILESCOc1cc(OCc2ccn(C)n2)cc(/C(N)=N/O)c1
InChIInChI=1S/C13H16N4O3/c1-17-4-3-10(15-17)8-20-12-6-9(13(14)16-18)5-11(7-12)19-2/h3-7,18H,8H2,1-2H3,(H2,14,16)
InChIKeyUKRSYIRWNAZKRW-UHFFFAOYSA-N
MW276.30 g/mol
LogP1.10
Rot. Bonds5

About N'-hydroxy-3-methoxy-5-[(1-methylpyrazol-3-yl)methoxy]benzenecarboximidamide

N'-hydroxy-3-methoxy-5-[(1-methylpyrazol-3-yl)methoxy]benzenecarboximidamide (PubChem CID 103567501) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is N'-hydroxy-3-methoxy-5-[(1-methylpyrazol-3-yl)methoxy]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3-methoxy-5-[(1-methylpyrazol-3-yl)methoxy]benzenecarboximidamide
PubChem CID103567501
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC NameN'-hydroxy-3-methoxy-5-[(1-methylpyrazol-3-yl)methoxy]benzenecarboximidamide
SMILESCOc1cc(OCc2ccn(C)n2)cc(/C(N)=N/O)c1
InChIInChI=1S/C13H16N4O3/c1-17-4-3-10(15-17)8-20-12-6-9(13(14)16-18)5-11(7-12)19-2/h3-7,18H,8H2,1-2H3,(H2,14,16)
InChIKeyUKRSYIRWNAZKRW-UHFFFAOYSA-N
XLogP1.10
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

N'-hydroxy-3-(3-imidazol-1-ylpropoxy)-5-methoxybenzenecarboximidamide
CID 103567567
4-[(1-methylpyrazol-3-yl)methoxy]benzenecarboximidamide
CID 82866842
N'-hydroxy-3-methoxy-5-(1,3-thiazol-5-ylmethoxy)benzenecarboximidamide
CID 103567506
3-[(5-chlorothiophen-2-yl)methoxy]-N'-hydroxy-5-methoxybenzenecarboximidamide
CID 103567558
3-[(3-bromothiophen-2-yl)methoxy]-N'-hydroxy-5-methoxybenzenecarboximidamide
CID 103567546
1-[4-[(1-methylpyrazol-3-yl)methoxy]phenyl]ethanone
CID 82842996
N'-hydroxy-3-methoxy-5-(3-methylsulfanylpropoxy)benzenecarboximidamide
CID 103567536
3-[3-(dimethylamino)propoxy]-N'-hydroxy-5-methoxybenzenecarboximidamide
CID 103567608
N'-hydroxy-3-methoxy-5-[2-(3-methylbutoxy)ethoxy]benzenecarboximidamide
CID 103567600
N'-hydroxy-1-[(1-methylpyrazol-3-yl)methyl]indole-5-carboximidamide
CID 107920767
3-(cyclopentylmethoxy)-N'-hydroxy-5-methoxybenzenecarboximidamide
CID 103567543
[3-[(1-methylpyrazol-3-yl)methoxy]phenyl]methanamine
CID 82866670

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-methoxy-5-[(1-methylpyrazol-3-yl)methoxy]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-3-methoxy-5-[(1-methylpyrazol-3-yl)methoxy]benzenecarboximidamide (CID 103567501) is N'-hydroxy-3-methoxy-5-[(1-methylpyrazol-3-yl)methoxy]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-3-methoxy-5-[(1-methylpyrazol-3-yl)methoxy]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-3-methoxy-5-[(1-methylpyrazol-3-yl)methoxy]benzenecarboximidamide is COc1cc(OCc2ccn(C)n2)cc(/C(N)=N/O)c1.
What is the InChIKey of N'-hydroxy-3-methoxy-5-[(1-methylpyrazol-3-yl)methoxy]benzenecarboximidamide?
The InChIKey is UKRSYIRWNAZKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-17-4-3-10(15-17)8-20-12-6-9(13(14)16-18)5-11(7-12)19-2/h3-7,18H,8H2,1-2H3,(H2,14,16).
What are the key properties of N'-hydroxy-3-methoxy-5-[(1-methylpyrazol-3-yl)methoxy]benzenecarboximidamide?
N'-hydroxy-3-methoxy-5-[(1-methylpyrazol-3-yl)methoxy]benzenecarboximidamide has a molecular weight of 276.30 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-methoxy-5-[(1-methylpyrazol-3-yl)methoxy]benzenecarboximidamide is sourced from PubChem (CID 103567501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).