3-chloro-2-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxypyridine-4-carboximidamide

C11H12ClN5O2 — CID 136739765

IUPAC3-chloro-2-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxypyridine-4-carboximidamide
SMILESCc1cc(Oc2nccc(/C(N)=N/O)c2Cl)n(C)n1
InChIInChI=1S/C11H12ClN5O2/c1-6-5-8(17(2)15-6)19-11-9(12)7(3-4-14-11)10(13)16-18/h3-5,18H,1-2H3,(H2,13,16)
InChIKeyLTICMCFBYNBKHG-UHFFFAOYSA-N
MW281.70 g/mol
LogP1.66
Rot. Bonds3

About 3-chloro-2-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxypyridine-4-carboximidamide

3-chloro-2-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxypyridine-4-carboximidamide (PubChem CID 136739765) has the molecular formula C11H12ClN5O2 and a molecular weight of 281.70 g/mol. Its IUPAC name is 3-chloro-2-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxypyridine-4-carboximidamide.

Molecular Properties

Compound Name3-chloro-2-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxypyridine-4-carboximidamide
PubChem CID136739765
Molecular FormulaC11H12ClN5O2
Molecular Weight281.70 g/mol
Exact Mass281.07
IUPAC Name3-chloro-2-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxypyridine-4-carboximidamide
SMILESCc1cc(Oc2nccc(/C(N)=N/O)c2Cl)n(C)n1
InChIInChI=1S/C11H12ClN5O2/c1-6-5-8(17(2)15-6)19-11-9(12)7(3-4-14-11)10(13)16-18/h3-5,18H,1-2H3,(H2,13,16)
InChIKeyLTICMCFBYNBKHG-UHFFFAOYSA-N
XLogP1.66
TPSA98.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.70
LogP ≤ 51.66
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

4-bromo-2-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxybenzenecarboximidamide
CID 114904345
2-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxypyrimidine-4-carboximidamide
CID 136986806
3-chloro-N'-hydroxy-2-[(2-methylpropan-2-yl)oxy]pyridine-4-carboximidamide
CID 136739684
methyl 3-amino-2-(2,5-dimethylpyrazol-3-yl)oxypyridine-4-carboxylate
CID 81346232
5-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide
CID 81345751
2-(3-bromophenoxy)-3-chloro-N'-hydroxypyridine-4-carboximidamide
CID 136739624
3-chloro-N'-hydroxy-2-(3-hydroxypropoxy)pyridine-4-carboximidamide
CID 136739694
2-(2,5-dimethylpyrazol-3-yl)oxypyridine-3-carboxylic acid
CID 81342189
2-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxy-6-methylpyridine-4-carboximidamide
CID 137013838
3-chloro-N'-hydroxy-2-[(1-methylpiperidin-2-yl)methoxy]pyridine-4-carboximidamide
CID 136739755
3-bromo-5-chloro-2-(2,5-dimethylpyrazol-3-yl)oxypyridine
CID 114837815
3,5-dichloro-6-(2,5-dimethylpyrazol-3-yl)oxypyridin-2-amine
CID 102761083

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxypyridine-4-carboximidamide?
The IUPAC name of 3-chloro-2-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxypyridine-4-carboximidamide (CID 136739765) is 3-chloro-2-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxypyridine-4-carboximidamide.
What is the SMILES notation for 3-chloro-2-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxypyridine-4-carboximidamide?
The canonical SMILES for 3-chloro-2-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxypyridine-4-carboximidamide is Cc1cc(Oc2nccc(/C(N)=N/O)c2Cl)n(C)n1.
What is the InChIKey of 3-chloro-2-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxypyridine-4-carboximidamide?
The InChIKey is LTICMCFBYNBKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN5O2/c1-6-5-8(17(2)15-6)19-11-9(12)7(3-4-14-11)10(13)16-18/h3-5,18H,1-2H3,(H2,13,16).
What are the key properties of 3-chloro-2-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxypyridine-4-carboximidamide?
3-chloro-2-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxypyridine-4-carboximidamide has a molecular weight of 281.70 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxypyridine-4-carboximidamide is sourced from PubChem (CID 136739765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).