N'-hydroxy-4-[(1-methylpyrazol-4-yl)methylamino]butanimidamide

C9H17N5O — CID 77031221

IUPACN'-hydroxy-4-[(1-methylpyrazol-4-yl)methylamino]butanimidamide
SMILESCn1cc(CNCCCC(N)=NO)cn1
InChIInChI=1S/C9H17N5O/c1-14-7-8(6-12-14)5-11-4-2-3-9(10)13-15/h6-7,11,15H,2-5H2,1H3,(H2,10,13)
InChIKeyYEUOSYNZGGWGBT-UHFFFAOYSA-N
MW211.27 g/mol
LogP0.04
Rot. Bonds6

About N'-hydroxy-4-[(1-methylpyrazol-4-yl)methylamino]butanimidamide

N'-hydroxy-4-[(1-methylpyrazol-4-yl)methylamino]butanimidamide (PubChem CID 77031221) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is N'-hydroxy-4-[(1-methylpyrazol-4-yl)methylamino]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[(1-methylpyrazol-4-yl)methylamino]butanimidamide
PubChem CID77031221
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC NameN'-hydroxy-4-[(1-methylpyrazol-4-yl)methylamino]butanimidamide
SMILESCn1cc(CNCCCC(N)=NO)cn1
InChIInChI=1S/C9H17N5O/c1-14-7-8(6-12-14)5-11-4-2-3-9(10)13-15/h6-7,11,15H,2-5H2,1H3,(H2,10,13)
InChIKeyYEUOSYNZGGWGBT-UHFFFAOYSA-N
XLogP0.04
TPSA88.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-5-[(1-methylpyrazol-4-yl)methylamino]pentanimidamide
CID 77030608
N'-hydroxy-4-[2-(1-methylpyrazol-4-yl)ethylamino]butanimidamide
CID 80683127
N'-hydroxy-2-[2-(1-methylpyrazol-4-yl)ethylamino]ethanimidamide
CID 80683125
4-[(1-methylpyrazol-4-yl)methylamino]butan-1-ol;hydrochloride
CID 126966638
5-chloro-N-[(1-methylpyrazol-4-yl)methyl]pentan-1-amine
CID 107319921
N',N'-diethyl-N-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 28600418
N-[(1-methylpyrazol-4-yl)methyl]hept-6-en-1-amine
CID 107006664
3-chloro-N'-hydroxy-4-[[(1-methylpyrazol-4-yl)methylamino]methyl]benzenecarboximidamide
CID 102667180
4-[(1-propylpyrazol-4-yl)methylamino]butanamide
CID 103571480
N'-hydroxy-5-[(1-methylpyrazol-4-yl)sulfonylamino]pentanimidamide
CID 77036940
N-[(1-methylpyrazol-4-yl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 28600272
N'-hydroxy-4-[(3-methylphenyl)methylamino]butanimidamide
CID 77030080

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[(1-methylpyrazol-4-yl)methylamino]butanimidamide?
The IUPAC name of N'-hydroxy-4-[(1-methylpyrazol-4-yl)methylamino]butanimidamide (CID 77031221) is N'-hydroxy-4-[(1-methylpyrazol-4-yl)methylamino]butanimidamide.
What is the SMILES notation for N'-hydroxy-4-[(1-methylpyrazol-4-yl)methylamino]butanimidamide?
The canonical SMILES for N'-hydroxy-4-[(1-methylpyrazol-4-yl)methylamino]butanimidamide is Cn1cc(CNCCCC(N)=NO)cn1.
What is the InChIKey of N'-hydroxy-4-[(1-methylpyrazol-4-yl)methylamino]butanimidamide?
The InChIKey is YEUOSYNZGGWGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O/c1-14-7-8(6-12-14)5-11-4-2-3-9(10)13-15/h6-7,11,15H,2-5H2,1H3,(H2,10,13).
What are the key properties of N'-hydroxy-4-[(1-methylpyrazol-4-yl)methylamino]butanimidamide?
N'-hydroxy-4-[(1-methylpyrazol-4-yl)methylamino]butanimidamide has a molecular weight of 211.27 g/mol, XLogP of 0.04, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[(1-methylpyrazol-4-yl)methylamino]butanimidamide is sourced from PubChem (CID 77031221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).