N'-hydroxy-2-(1-methylpyrazol-3-yl)-3-nitrobenzenecarboximidamide

C11H11N5O3 — CID 173168248

IUPACN'-hydroxy-2-(1-methylpyrazol-3-yl)-3-nitrobenzenecarboximidamide
SMILESCn1ccc(-c2c(C(N)=NO)cccc2[N+](=O)[O-])n1
InChIInChI=1S/C11H11N5O3/c1-15-6-5-8(13-15)10-7(11(12)14-17)3-2-4-9(10)16(18)19/h2-6,17H,1H3,(H2,12,14)
InChIKeyXPPAQWWCFZOUIZ-UHFFFAOYSA-N
MW261.24 g/mol
LogP1.09
Rot. Bonds3

About N'-hydroxy-2-(1-methylpyrazol-3-yl)-3-nitrobenzenecarboximidamide

N'-hydroxy-2-(1-methylpyrazol-3-yl)-3-nitrobenzenecarboximidamide (PubChem CID 173168248) has the molecular formula C11H11N5O3 and a molecular weight of 261.24 g/mol. Its IUPAC name is N'-hydroxy-2-(1-methylpyrazol-3-yl)-3-nitrobenzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(1-methylpyrazol-3-yl)-3-nitrobenzenecarboximidamide
PubChem CID173168248
Molecular FormulaC11H11N5O3
Molecular Weight261.24 g/mol
Exact Mass261.09
IUPAC NameN'-hydroxy-2-(1-methylpyrazol-3-yl)-3-nitrobenzenecarboximidamide
SMILESCn1ccc(-c2c(C(N)=NO)cccc2[N+](=O)[O-])n1
InChIInChI=1S/C11H11N5O3/c1-15-6-5-8(13-15)10-7(11(12)14-17)3-2-4-9(10)16(18)19/h2-6,17H,1H3,(H2,12,14)
InChIKeyXPPAQWWCFZOUIZ-UHFFFAOYSA-N
XLogP1.09
TPSA119.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 51.09
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': 'nitro_group', '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-methoxy-3-nitrobenzenecarboximidamide
CID 134574788
N'-hydroxy-2-methyl-6-nitrobenzenecarboximidamide
CID 124679312
2-hydrazinyl-N-(1-methylpyrazol-3-yl)-3-nitrobenzamide
CID 113355013
4-(1-methylpyrazol-3-yl)-2-nitroaniline
CID 129245750
3-(2-bromo-3-nitrophenoxy)-N'-hydroxypyridazine-4-carboximidamide
CID 136952046
N-methyl-N-[(1-methylpyrazol-3-yl)methyl]-2-nitrobenzamide
CID 19452047
1-(1-methylpyrazol-3-yl)-4-nitroindole
CID 90309174
N-(2-chloro-6-nitrophenyl)-1-methylpyrazol-3-amine
CID 79778291
2-nitro-N'-propylbenzenecarboximidamide
CID 63181586
N-(1-methylpyrazol-3-yl)-2-(2-nitrophenyl)acetamide
CID 16962879
3-(2,6-dichlorophenyl)-1-methylpyrazole
CID 173078305
2-amino-N-(1,3-dimethylpyrazol-4-yl)-3-nitrobenzamide
CID 103733966

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(1-methylpyrazol-3-yl)-3-nitrobenzenecarboximidamide?
The IUPAC name of N'-hydroxy-2-(1-methylpyrazol-3-yl)-3-nitrobenzenecarboximidamide (CID 173168248) is N'-hydroxy-2-(1-methylpyrazol-3-yl)-3-nitrobenzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-2-(1-methylpyrazol-3-yl)-3-nitrobenzenecarboximidamide?
The canonical SMILES for N'-hydroxy-2-(1-methylpyrazol-3-yl)-3-nitrobenzenecarboximidamide is Cn1ccc(-c2c(C(N)=NO)cccc2[N+](=O)[O-])n1.
What is the InChIKey of N'-hydroxy-2-(1-methylpyrazol-3-yl)-3-nitrobenzenecarboximidamide?
The InChIKey is XPPAQWWCFZOUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O3/c1-15-6-5-8(13-15)10-7(11(12)14-17)3-2-4-9(10)16(18)19/h2-6,17H,1H3,(H2,12,14).
What are the key properties of N'-hydroxy-2-(1-methylpyrazol-3-yl)-3-nitrobenzenecarboximidamide?
N'-hydroxy-2-(1-methylpyrazol-3-yl)-3-nitrobenzenecarboximidamide has a molecular weight of 261.24 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(1-methylpyrazol-3-yl)-3-nitrobenzenecarboximidamide is sourced from PubChem (CID 173168248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).