N'-hydroxy-2,2-dimethyl-4-[(1-methylpyrazol-3-yl)amino]butanimidamide

C10H19N5O — CID 79778953

IUPACN'-hydroxy-2,2-dimethyl-4-[(1-methylpyrazol-3-yl)amino]butanimidamide
SMILESCn1ccc(NCCC(C)(C)C(N)=NO)n1
InChIInChI=1S/C10H19N5O/c1-10(2,9(11)14-16)5-6-12-8-4-7-15(3)13-8/h4,7,16H,5-6H2,1-3H3,(H2,11,14)(H,12,13)
InChIKeyPAXDOUIEBVXLJU-UHFFFAOYSA-N
MW225.30 g/mol
LogP0.99
Rot. Bonds5

About N'-hydroxy-2,2-dimethyl-4-[(1-methylpyrazol-3-yl)amino]butanimidamide

N'-hydroxy-2,2-dimethyl-4-[(1-methylpyrazol-3-yl)amino]butanimidamide (PubChem CID 79778953) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-4-[(1-methylpyrazol-3-yl)amino]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-4-[(1-methylpyrazol-3-yl)amino]butanimidamide
PubChem CID79778953
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC NameN'-hydroxy-2,2-dimethyl-4-[(1-methylpyrazol-3-yl)amino]butanimidamide
SMILESCn1ccc(NCCC(C)(C)C(N)=NO)n1
InChIInChI=1S/C10H19N5O/c1-10(2,9(11)14-16)5-6-12-8-4-7-15(3)13-8/h4,7,16H,5-6H2,1-3H3,(H2,11,14)(H,12,13)
InChIKeyPAXDOUIEBVXLJU-UHFFFAOYSA-N
XLogP0.99
TPSA88.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2,2-dimethyl-4-[(1-methylpyrazol-3-yl)amino]butanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-4-[(1-methylpyrazol-3-yl)amino]butanimidamide (CID 79778953) is N'-hydroxy-2,2-dimethyl-4-[(1-methylpyrazol-3-yl)amino]butanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-4-[(1-methylpyrazol-3-yl)amino]butanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-4-[(1-methylpyrazol-3-yl)amino]butanimidamide is Cn1ccc(NCCC(C)(C)C(N)=NO)n1.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-4-[(1-methylpyrazol-3-yl)amino]butanimidamide?
The InChIKey is PAXDOUIEBVXLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O/c1-10(2,9(11)14-16)5-6-12-8-4-7-15(3)13-8/h4,7,16H,5-6H2,1-3H3,(H2,11,14)(H,12,13).
What are the key properties of N'-hydroxy-2,2-dimethyl-4-[(1-methylpyrazol-3-yl)amino]butanimidamide?
N'-hydroxy-2,2-dimethyl-4-[(1-methylpyrazol-3-yl)amino]butanimidamide has a molecular weight of 225.30 g/mol, XLogP of 0.99, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2,2-dimethyl-4-[(1-methylpyrazol-3-yl)amino]butanimidamide is sourced from PubChem (CID 79778953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).