N'-hydroxy-5-[(1-methylpyrazol-4-yl)methylamino]pentanimidamide

C10H19N5O — CID 77030608

IUPACN'-hydroxy-5-[(1-methylpyrazol-4-yl)methylamino]pentanimidamide
SMILESCn1cc(CNCCCCC(N)=NO)cn1
InChIInChI=1S/C10H19N5O/c1-15-8-9(7-13-15)6-12-5-3-2-4-10(11)14-16/h7-8,12,16H,2-6H2,1H3,(H2,11,14)
InChIKeyXOLFYUSZWPJBDB-UHFFFAOYSA-N
MW225.30 g/mol
LogP0.43
Rot. Bonds7

About N'-hydroxy-5-[(1-methylpyrazol-4-yl)methylamino]pentanimidamide

N'-hydroxy-5-[(1-methylpyrazol-4-yl)methylamino]pentanimidamide (PubChem CID 77030608) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is N'-hydroxy-5-[(1-methylpyrazol-4-yl)methylamino]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-5-[(1-methylpyrazol-4-yl)methylamino]pentanimidamide
PubChem CID77030608
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC NameN'-hydroxy-5-[(1-methylpyrazol-4-yl)methylamino]pentanimidamide
SMILESCn1cc(CNCCCCC(N)=NO)cn1
InChIInChI=1S/C10H19N5O/c1-15-8-9(7-13-15)6-12-5-3-2-4-10(11)14-16/h7-8,12,16H,2-6H2,1H3,(H2,11,14)
InChIKeyXOLFYUSZWPJBDB-UHFFFAOYSA-N
XLogP0.43
TPSA88.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 50.43
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-4-[(1-methylpyrazol-4-yl)methylamino]butanimidamide
CID 77031221
N'-hydroxy-4-[2-(1-methylpyrazol-4-yl)ethylamino]butanimidamide
CID 80683127
4-[(1-methylpyrazol-4-yl)methylamino]butan-1-ol;hydrochloride
CID 126966638
N'-hydroxy-2-[2-(1-methylpyrazol-4-yl)ethylamino]ethanimidamide
CID 80683125
5-chloro-N-[(1-methylpyrazol-4-yl)methyl]pentan-1-amine
CID 107319921
N'-hydroxy-5-[(1-methylpyrazol-4-yl)sulfonylamino]pentanimidamide
CID 77036940
N-[(1-methylpyrazol-4-yl)methyl]hept-6-en-1-amine
CID 107006664
5-[(1-propylpyrazol-4-yl)methylamino]pentanamide
CID 114161780
N',N'-diethyl-N-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 28600418
3-chloro-N'-hydroxy-4-[[(1-methylpyrazol-4-yl)methylamino]methyl]benzenecarboximidamide
CID 102667180
5-[(1-tert-butylpyrazol-4-yl)methylamino]pentanamide
CID 106234065
N-[(1-methylpyrazol-4-yl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 28600272

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-[(1-methylpyrazol-4-yl)methylamino]pentanimidamide?
The IUPAC name of N'-hydroxy-5-[(1-methylpyrazol-4-yl)methylamino]pentanimidamide (CID 77030608) is N'-hydroxy-5-[(1-methylpyrazol-4-yl)methylamino]pentanimidamide.
What is the SMILES notation for N'-hydroxy-5-[(1-methylpyrazol-4-yl)methylamino]pentanimidamide?
The canonical SMILES for N'-hydroxy-5-[(1-methylpyrazol-4-yl)methylamino]pentanimidamide is Cn1cc(CNCCCCC(N)=NO)cn1.
What is the InChIKey of N'-hydroxy-5-[(1-methylpyrazol-4-yl)methylamino]pentanimidamide?
The InChIKey is XOLFYUSZWPJBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O/c1-15-8-9(7-13-15)6-12-5-3-2-4-10(11)14-16/h7-8,12,16H,2-6H2,1H3,(H2,11,14).
What are the key properties of N'-hydroxy-5-[(1-methylpyrazol-4-yl)methylamino]pentanimidamide?
N'-hydroxy-5-[(1-methylpyrazol-4-yl)methylamino]pentanimidamide has a molecular weight of 225.30 g/mol, XLogP of 0.43, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-[(1-methylpyrazol-4-yl)methylamino]pentanimidamide is sourced from PubChem (CID 77030608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).