N'-hydroxy-4-methoxy-2-[(5-methyl-1H-pyrazol-3-yl)oxy]benzenecarboximidamide

C12H14N4O3 — CID 81341664

IUPACN'-hydroxy-4-methoxy-2-[(5-methyl-1H-pyrazol-3-yl)oxy]benzenecarboximidamide
SMILESCOc1ccc(/C(N)=N/O)c(Oc2cc(C)[nH]n2)c1
InChIInChI=1S/C12H14N4O3/c1-7-5-11(15-14-7)19-10-6-8(18-2)3-4-9(10)12(13)16-17/h3-6,17H,1-2H3,(H2,13,16)(H,14,15)
InChIKeyMFHBZKGYZRANTI-UHFFFAOYSA-N
MW262.27 g/mol
LogP1.61
Rot. Bonds4

About N'-hydroxy-4-methoxy-2-[(5-methyl-1H-pyrazol-3-yl)oxy]benzenecarboximidamide

N'-hydroxy-4-methoxy-2-[(5-methyl-1H-pyrazol-3-yl)oxy]benzenecarboximidamide (PubChem CID 81341664) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is N'-hydroxy-4-methoxy-2-[(5-methyl-1H-pyrazol-3-yl)oxy]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-methoxy-2-[(5-methyl-1H-pyrazol-3-yl)oxy]benzenecarboximidamide
PubChem CID81341664
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC NameN'-hydroxy-4-methoxy-2-[(5-methyl-1H-pyrazol-3-yl)oxy]benzenecarboximidamide
SMILESCOc1ccc(/C(N)=N/O)c(Oc2cc(C)[nH]n2)c1
InChIInChI=1S/C12H14N4O3/c1-7-5-11(15-14-7)19-10-6-8(18-2)3-4-9(10)12(13)16-17/h3-6,17H,1-2H3,(H2,13,16)(H,14,15)
InChIKeyMFHBZKGYZRANTI-UHFFFAOYSA-N
XLogP1.61
TPSA105.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 51.61
H-Bond Donors ≤ 53
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

4-methoxy-2-[(5-methyl-1H-pyrazol-3-yl)oxy]aniline
CID 81342391
2-(3,4-dimethylphenoxy)-N'-hydroxy-4-methoxybenzenecarboximidamide
CID 81297165
2-(3-bromophenoxy)-N'-hydroxy-4-methoxybenzenecarboximidamide
CID 81303583
2-(2-ethylphenoxy)-N'-hydroxy-4-methoxybenzenecarboximidamide
CID 81297321
2-amino-N'-hydroxy-4-methoxybenzenecarboximidamide
CID 83385991
N'-hydroxy-4-methyl-2-(4-methylphenoxy)benzenecarboximidamide
CID 55056871
N'-hydroxy-4-(4-methoxyphenoxy)-2-methylbenzenecarboximidamide
CID 81277967
2-(4-fluorophenoxy)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76939029
4-bromo-2-(5-bromo-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 107284634
N'-hydroxy-4-methoxy-2-(oxan-4-yloxy)benzenecarboximidamide
CID 81303944
N'-hydroxy-2-(4-methoxyphenoxy)benzenecarboximidamide
CID 43199994
N'-hydroxy-2-(4-methoxyphenoxy)-6-methylpyridine-3-carboximidamide
CID 56675946

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-methoxy-2-[(5-methyl-1H-pyrazol-3-yl)oxy]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-methoxy-2-[(5-methyl-1H-pyrazol-3-yl)oxy]benzenecarboximidamide (CID 81341664) is N'-hydroxy-4-methoxy-2-[(5-methyl-1H-pyrazol-3-yl)oxy]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-methoxy-2-[(5-methyl-1H-pyrazol-3-yl)oxy]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-methoxy-2-[(5-methyl-1H-pyrazol-3-yl)oxy]benzenecarboximidamide is COc1ccc(/C(N)=N/O)c(Oc2cc(C)[nH]n2)c1.
What is the InChIKey of N'-hydroxy-4-methoxy-2-[(5-methyl-1H-pyrazol-3-yl)oxy]benzenecarboximidamide?
The InChIKey is MFHBZKGYZRANTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-7-5-11(15-14-7)19-10-6-8(18-2)3-4-9(10)12(13)16-17/h3-6,17H,1-2H3,(H2,13,16)(H,14,15).
What are the key properties of N'-hydroxy-4-methoxy-2-[(5-methyl-1H-pyrazol-3-yl)oxy]benzenecarboximidamide?
N'-hydroxy-4-methoxy-2-[(5-methyl-1H-pyrazol-3-yl)oxy]benzenecarboximidamide has a molecular weight of 262.27 g/mol, XLogP of 1.61, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-methoxy-2-[(5-methyl-1H-pyrazol-3-yl)oxy]benzenecarboximidamide is sourced from PubChem (CID 81341664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).