2-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxy-6-methylpyridine-4-carboximidamide

C12H15N5O2 — CID 137013838

IUPAC2-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxy-6-methylpyridine-4-carboximidamide
SMILESCc1cc(/C(N)=N/O)cc(Oc2cc(C)nn2C)n1
InChIInChI=1S/C12H15N5O2/c1-7-4-9(12(13)16-18)6-10(14-7)19-11-5-8(2)15-17(11)3/h4-6,18H,1-3H3,(H2,13,16)
InChIKeyHLTCPPFQBDNZIW-UHFFFAOYSA-N
MW261.29 g/mol
LogP1.32
Rot. Bonds3

About 2-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxy-6-methylpyridine-4-carboximidamide

2-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxy-6-methylpyridine-4-carboximidamide (PubChem CID 137013838) has the molecular formula C12H15N5O2 and a molecular weight of 261.29 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxy-6-methylpyridine-4-carboximidamide.

Molecular Properties

Compound Name2-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxy-6-methylpyridine-4-carboximidamide
PubChem CID137013838
Molecular FormulaC12H15N5O2
Molecular Weight261.29 g/mol
Exact Mass261.12
IUPAC Name2-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxy-6-methylpyridine-4-carboximidamide
SMILESCc1cc(/C(N)=N/O)cc(Oc2cc(C)nn2C)n1
InChIInChI=1S/C12H15N5O2/c1-7-4-9(12(13)16-18)6-10(14-7)19-11-5-8(2)15-17(11)3/h4-6,18H,1-3H3,(H2,13,16)
InChIKeyHLTCPPFQBDNZIW-UHFFFAOYSA-N
XLogP1.32
TPSA98.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 51.32
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

5-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide
CID 81345751
2-(2,4-dimethylphenoxy)-N'-hydroxy-6-methylpyridine-4-carboximidamide
CID 137013736
2-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxypyrimidine-4-carboximidamide
CID 136986806
2-[(5-bromo-3-pyridinyl)oxy]-N'-hydroxy-6-methylpyridine-4-carboximidamide
CID 137013818
2-(2,4-dibromophenoxy)-N'-hydroxy-6-methylpyridine-4-carboximidamide
CID 137013821
2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N'-hydroxy-6-methylpyridine-4-carboximidamide
CID 136794793
4-bromo-2-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxybenzenecarboximidamide
CID 114904345
N'-hydroxy-2-[4-(2-hydroxyethyl)phenoxy]-6-methylpyridine-4-carboximidamide
CID 136865767
N'-hydroxy-2-[2-(hydroxymethyl)phenoxy]-6-methylpyridine-4-carboximidamide
CID 137013810
2-(5-bromo-2,3-difluorophenoxy)-N'-hydroxy-6-methylpyridine-4-carboximidamide
CID 136860120
3-chloro-2-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxypyridine-4-carboximidamide
CID 136739765
2-(2,5-dimethylpyrazol-3-yl)oxypyridine-4-carboximidamide
CID 81346153

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxy-6-methylpyridine-4-carboximidamide?
The IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxy-6-methylpyridine-4-carboximidamide (CID 137013838) is 2-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxy-6-methylpyridine-4-carboximidamide.
What is the SMILES notation for 2-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxy-6-methylpyridine-4-carboximidamide?
The canonical SMILES for 2-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxy-6-methylpyridine-4-carboximidamide is Cc1cc(/C(N)=N/O)cc(Oc2cc(C)nn2C)n1.
What is the InChIKey of 2-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxy-6-methylpyridine-4-carboximidamide?
The InChIKey is HLTCPPFQBDNZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-7-4-9(12(13)16-18)6-10(14-7)19-11-5-8(2)15-17(11)3/h4-6,18H,1-3H3,(H2,13,16).
What are the key properties of 2-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxy-6-methylpyridine-4-carboximidamide?
2-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxy-6-methylpyridine-4-carboximidamide has a molecular weight of 261.29 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxy-6-methylpyridine-4-carboximidamide is sourced from PubChem (CID 137013838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).