N-methyl-N-[5-[[4-(pyrazol-1-ylmethyl)phenyl]methoxy]pyridazin-3-yl]oxyhydroxylamine

C16H17N5O3 — CID 172773915

IUPACN-methyl-N-[5-[[4-(pyrazol-1-ylmethyl)phenyl]methoxy]pyridazin-3-yl]oxyhydroxylamine
SMILESCN(O)Oc1cc(OCc2ccc(Cn3cccn3)cc2)cnn1
InChIInChI=1S/C16H17N5O3/c1-20(22)24-16-9-15(10-17-19-16)23-12-14-5-3-13(4-6-14)11-21-8-2-7-18-21/h2-10,22H,11-12H2,1H3
InChIKeyNIFNUYPFCCHFTE-UHFFFAOYSA-N
MW327.34 g/mol
LogP1.92
Rot. Bonds7

About N-methyl-N-[5-[[4-(pyrazol-1-ylmethyl)phenyl]methoxy]pyridazin-3-yl]oxyhydroxylamine

N-methyl-N-[5-[[4-(pyrazol-1-ylmethyl)phenyl]methoxy]pyridazin-3-yl]oxyhydroxylamine (PubChem CID 172773915) has the molecular formula C16H17N5O3 and a molecular weight of 327.34 g/mol. Its IUPAC name is N-methyl-N-[5-[[4-(pyrazol-1-ylmethyl)phenyl]methoxy]pyridazin-3-yl]oxyhydroxylamine.

Molecular Properties

Compound NameN-methyl-N-[5-[[4-(pyrazol-1-ylmethyl)phenyl]methoxy]pyridazin-3-yl]oxyhydroxylamine
PubChem CID172773915
Molecular FormulaC16H17N5O3
Molecular Weight327.34 g/mol
Exact Mass327.13
IUPAC NameN-methyl-N-[5-[[4-(pyrazol-1-ylmethyl)phenyl]methoxy]pyridazin-3-yl]oxyhydroxylamine
SMILESCN(O)Oc1cc(OCc2ccc(Cn3cccn3)cc2)cnn1
InChIInChI=1S/C16H17N5O3/c1-20(22)24-16-9-15(10-17-19-16)23-12-14-5-3-13(4-6-14)11-21-8-2-7-18-21/h2-10,22H,11-12H2,1H3
InChIKeyNIFNUYPFCCHFTE-UHFFFAOYSA-N
XLogP1.92
TPSA85.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,1-diphenyl-N-[5-[[4-(pyrazol-1-ylmethyl)phenyl]methoxy]pyridazin-3-yl]methanimine
CID 165134114
3-chloro-5-[[5-(pyrazol-1-ylmethyl)-2-pyridinyl]methoxy]pyridazine
CID 171090290
5,7-dimethyl-6-[[[5-[[4-(pyrazol-1-ylmethyl)phenyl]methoxy]pyridazin-3-yl]amino]methyl]isoquinolin-1-amine
CID 171090125
2-[1-[5-[[4-(pyrazol-1-ylmethyl)phenyl]methoxy]pyridazin-3-yl]pyrazol-4-yl]cyclopropane-1-carboxamide
CID 171059012
1-[(4-ethylphenyl)methyl]pyrazole
CID 63811734
2-[[4-(pyrazol-1-ylmethyl)phenoxy]methyl]pyridine
CID 141170950
pyridin-2-ylmethyl 4-(pyrazol-1-ylmethyl)benzoate
CID 46562089
[4-(pyrazol-1-ylmethyl)phenyl]methanol
CID 16640562
(3-methyl-1,2-oxazol-5-yl)methyl 4-(pyrazol-1-ylmethyl)benzoate
CID 18141838
(2,4-dimethylphenyl) 4-(pyrazol-1-ylmethyl)benzoate
CID 30002423
3-(pyrazol-1-ylmethyl)phenol
CID 24745197
[4-(pyrazol-1-ylmethyl)phenyl]boronic acid
CID 3698707

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[5-[[4-(pyrazol-1-ylmethyl)phenyl]methoxy]pyridazin-3-yl]oxyhydroxylamine?
The IUPAC name of N-methyl-N-[5-[[4-(pyrazol-1-ylmethyl)phenyl]methoxy]pyridazin-3-yl]oxyhydroxylamine (CID 172773915) is N-methyl-N-[5-[[4-(pyrazol-1-ylmethyl)phenyl]methoxy]pyridazin-3-yl]oxyhydroxylamine.
What is the SMILES notation for N-methyl-N-[5-[[4-(pyrazol-1-ylmethyl)phenyl]methoxy]pyridazin-3-yl]oxyhydroxylamine?
The canonical SMILES for N-methyl-N-[5-[[4-(pyrazol-1-ylmethyl)phenyl]methoxy]pyridazin-3-yl]oxyhydroxylamine is CN(O)Oc1cc(OCc2ccc(Cn3cccn3)cc2)cnn1.
What is the InChIKey of N-methyl-N-[5-[[4-(pyrazol-1-ylmethyl)phenyl]methoxy]pyridazin-3-yl]oxyhydroxylamine?
The InChIKey is NIFNUYPFCCHFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O3/c1-20(22)24-16-9-15(10-17-19-16)23-12-14-5-3-13(4-6-14)11-21-8-2-7-18-21/h2-10,22H,11-12H2,1H3.
What are the key properties of N-methyl-N-[5-[[4-(pyrazol-1-ylmethyl)phenyl]methoxy]pyridazin-3-yl]oxyhydroxylamine?
N-methyl-N-[5-[[4-(pyrazol-1-ylmethyl)phenyl]methoxy]pyridazin-3-yl]oxyhydroxylamine has a molecular weight of 327.34 g/mol, XLogP of 1.92, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[5-[[4-(pyrazol-1-ylmethyl)phenyl]methoxy]pyridazin-3-yl]oxyhydroxylamine is sourced from PubChem (CID 172773915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).