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

C12H15N5O2 — CID 136932356

IUPACN'-hydroxy-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine-4-carboximidamide
SMILESCC(C)n1cc(Oc2cc(/C(N)=N/O)ccn2)cn1
InChIInChI=1S/C12H15N5O2/c1-8(2)17-7-10(6-15-17)19-11-5-9(3-4-14-11)12(13)16-18/h3-8,18H,1-2H3,(H2,13,16)
InChIKeyUILXTGSILJIPMA-UHFFFAOYSA-N
MW261.29 g/mol
LogP1.75
Rot. Bonds4

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

N'-hydroxy-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine-4-carboximidamide (PubChem CID 136932356) has the molecular formula C12H15N5O2 and a molecular weight of 261.29 g/mol. Its IUPAC name is N'-hydroxy-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine-4-carboximidamide
PubChem CID136932356
Molecular FormulaC12H15N5O2
Molecular Weight261.29 g/mol
Exact Mass261.12
IUPAC NameN'-hydroxy-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine-4-carboximidamide
SMILESCC(C)n1cc(Oc2cc(/C(N)=N/O)ccn2)cn1
InChIInChI=1S/C12H15N5O2/c1-8(2)17-7-10(6-15-17)19-11-5-9(3-4-14-11)12(13)16-18/h3-8,18H,1-2H3,(H2,13,16)
InChIKeyUILXTGSILJIPMA-UHFFFAOYSA-N
XLogP1.75
TPSA98.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 51.75
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-4-(1-propan-2-ylpyrazol-4-yl)oxybenzenecarboximidamide
CID 116801466
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-methyl-1-[2-(1-propan-2-ylpyrazol-4-yl)oxy-4-pyridinyl]methanamine
CID 116803068
2-methyl-6-(1-propan-2-ylpyrazol-4-yl)oxypyridine-4-carbothioamide
CID 114768253
N-[[2-(1-propan-2-ylpyrazol-4-yl)oxy-4-pyridinyl]methyl]propan-1-amine
CID 116803088
6-(1-propan-2-ylpyrazol-4-yl)oxypyridazin-3-amine
CID 116805850
2-(1-ethylpyrazol-4-yl)oxypyridine-4-carboximidamide
CID 116801525
4-bromo-6-(1-propan-2-ylpyrazol-4-yl)oxypyrimidine
CID 116801148
2-(2,2-difluoroethoxy)-N'-hydroxypyridine-4-carboximidamide
CID 155271721
1-[2-(1-methylpyrazol-4-yl)oxy-4-pyridinyl]ethanone
CID 116792870
[5-chloro-2-(1-propan-2-ylpyrazol-4-yl)oxy-4-pyridinyl]methanamine
CID 114929125

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine-4-carboximidamide?
The IUPAC name of N'-hydroxy-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine-4-carboximidamide (CID 136932356) is N'-hydroxy-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine-4-carboximidamide is CC(C)n1cc(Oc2cc(/C(N)=N/O)ccn2)cn1.
What is the InChIKey of N'-hydroxy-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine-4-carboximidamide?
The InChIKey is UILXTGSILJIPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-8(2)17-7-10(6-15-17)19-11-5-9(3-4-14-11)12(13)16-18/h3-8,18H,1-2H3,(H2,13,16).
What are the key properties of N'-hydroxy-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine-4-carboximidamide?
N'-hydroxy-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine-4-carboximidamide has a molecular weight of 261.29 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine-4-carboximidamide is sourced from PubChem (CID 136932356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).