N'-hydroxy-4-(1-propan-2-ylpyrazol-4-yl)oxybenzenecarboximidamide

C13H16N4O2 — CID 116801466

IUPACN'-hydroxy-4-(1-propan-2-ylpyrazol-4-yl)oxybenzenecarboximidamide
SMILESCC(C)n1cc(Oc2ccc(/C(N)=N/O)cc2)cn1
InChIInChI=1S/C13H16N4O2/c1-9(2)17-8-12(7-15-17)19-11-5-3-10(4-6-11)13(14)16-18/h3-9,18H,1-2H3,(H2,14,16)
InChIKeyGCOQBFMVLWKWAA-UHFFFAOYSA-N
MW260.30 g/mol
LogP2.35
Rot. Bonds4

About N'-hydroxy-4-(1-propan-2-ylpyrazol-4-yl)oxybenzenecarboximidamide

N'-hydroxy-4-(1-propan-2-ylpyrazol-4-yl)oxybenzenecarboximidamide (PubChem CID 116801466) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is N'-hydroxy-4-(1-propan-2-ylpyrazol-4-yl)oxybenzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(1-propan-2-ylpyrazol-4-yl)oxybenzenecarboximidamide
PubChem CID116801466
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC NameN'-hydroxy-4-(1-propan-2-ylpyrazol-4-yl)oxybenzenecarboximidamide
SMILESCC(C)n1cc(Oc2ccc(/C(N)=N/O)cc2)cn1
InChIInChI=1S/C13H16N4O2/c1-9(2)17-8-12(7-15-17)19-11-5-3-10(4-6-11)13(14)16-18/h3-9,18H,1-2H3,(H2,14,16)
InChIKeyGCOQBFMVLWKWAA-UHFFFAOYSA-N
XLogP2.35
TPSA85.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 52.35
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

N'-hydroxy-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine-4-carboximidamide
CID 136932356
N'-hydroxy-4-(1-propan-2-ylpyrazol-4-yl)oxypyridine-2-carboximidamide
CID 136932357
5-chloro-N'-hydroxy-2-(1-propan-2-ylpyrazol-4-yl)oxybenzenecarboximidamide
CID 116801481
N'-hydroxy-4-(4-methoxyphenoxy)benzenecarboximidamide
CID 43188223
4-[3-amino-5-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]phenoxy]-N'-hydroxybenzenecarboximidamide
CID 87574257
6-(1-propan-2-ylpyrazol-4-yl)oxypyridazin-3-amine
CID 116805850
4-(4-ethoxyphenoxy)-N'-hydroxybenzenecarboximidamide
CID 43188257
N'-hydroxy-4-(3-propan-2-ylphenoxy)benzenecarboximidamide
CID 43111282
1-(4-phenoxypyrazol-1-yl)ethanamine
CID 117125159
methyl 2-amino-5-(1-propan-2-ylpyrazol-4-yl)oxybenzoate
CID 116802590
N'-hydroxy-4-methoxybenzenecarboximidamide
CID 5374066
1-[3-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]propan-1-one
CID 114079106

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-(1-propan-2-ylpyrazol-4-yl)oxybenzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-(1-propan-2-ylpyrazol-4-yl)oxybenzenecarboximidamide (CID 116801466) is N'-hydroxy-4-(1-propan-2-ylpyrazol-4-yl)oxybenzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-(1-propan-2-ylpyrazol-4-yl)oxybenzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-(1-propan-2-ylpyrazol-4-yl)oxybenzenecarboximidamide is CC(C)n1cc(Oc2ccc(/C(N)=N/O)cc2)cn1.
What is the InChIKey of N'-hydroxy-4-(1-propan-2-ylpyrazol-4-yl)oxybenzenecarboximidamide?
The InChIKey is GCOQBFMVLWKWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-9(2)17-8-12(7-15-17)19-11-5-3-10(4-6-11)13(14)16-18/h3-9,18H,1-2H3,(H2,14,16).
What are the key properties of N'-hydroxy-4-(1-propan-2-ylpyrazol-4-yl)oxybenzenecarboximidamide?
N'-hydroxy-4-(1-propan-2-ylpyrazol-4-yl)oxybenzenecarboximidamide has a molecular weight of 260.30 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(1-propan-2-ylpyrazol-4-yl)oxybenzenecarboximidamide is sourced from PubChem (CID 116801466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).