N'-hydroxy-4-[2-(1-methylpyrazol-4-yl)ethylamino]butanimidamide

C10H19N5O — CID 80683127

IUPACN'-hydroxy-4-[2-(1-methylpyrazol-4-yl)ethylamino]butanimidamide
SMILESCn1cc(CCNCCC/C(N)=N/O)cn1
InChIInChI=1S/C10H19N5O/c1-15-8-9(7-13-15)4-6-12-5-2-3-10(11)14-16/h7-8,12,16H,2-6H2,1H3,(H2,11,14)
InChIKeyXQSPJLCNENUANO-UHFFFAOYSA-N
MW225.30 g/mol
LogP0.08
Rot. Bonds7

About N'-hydroxy-4-[2-(1-methylpyrazol-4-yl)ethylamino]butanimidamide

N'-hydroxy-4-[2-(1-methylpyrazol-4-yl)ethylamino]butanimidamide (PubChem CID 80683127) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is N'-hydroxy-4-[2-(1-methylpyrazol-4-yl)ethylamino]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[2-(1-methylpyrazol-4-yl)ethylamino]butanimidamide
PubChem CID80683127
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC NameN'-hydroxy-4-[2-(1-methylpyrazol-4-yl)ethylamino]butanimidamide
SMILESCn1cc(CCNCCC/C(N)=N/O)cn1
InChIInChI=1S/C10H19N5O/c1-15-8-9(7-13-15)4-6-12-5-2-3-10(11)14-16/h7-8,12,16H,2-6H2,1H3,(H2,11,14)
InChIKeyXQSPJLCNENUANO-UHFFFAOYSA-N
XLogP0.08
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 ≤ 50.08
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-2-[2-(1-methylpyrazol-4-yl)ethylamino]ethanimidamide
CID 80683125
N'-hydroxy-5-[(1-methylpyrazol-4-yl)methylamino]pentanimidamide
CID 77030608
N,N-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethylamino]butanamide
CID 80689002
6-bromo-N-[2-(1-methylpyrazol-4-yl)ethyl]hexan-1-amine
CID 107844230
N-[2-(1-methylpyrazol-4-yl)ethyl]-4-methylsulfanylbutan-1-amine
CID 103002144
3-cyclopropyl-N-[2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 103002222
ethyl 3-[2-(1-methylpyrazol-4-yl)ethylamino]propanoate
CID 80689143
N'-hydroxy-3-[2-methylpropyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]propanimidamide
CID 103002963
N'-hydroxy-3-[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]propanimidamide
CID 62126180
2-[2-[2-(1-methylpyrazol-4-yl)ethylamino]ethoxy]acetamide
CID 106238366
N-[2-(1-methylpyrazol-4-yl)ethyl]-2-pyridin-4-ylethanamine
CID 80688590

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[2-(1-methylpyrazol-4-yl)ethylamino]butanimidamide?
The IUPAC name of N'-hydroxy-4-[2-(1-methylpyrazol-4-yl)ethylamino]butanimidamide (CID 80683127) is N'-hydroxy-4-[2-(1-methylpyrazol-4-yl)ethylamino]butanimidamide.
What is the SMILES notation for N'-hydroxy-4-[2-(1-methylpyrazol-4-yl)ethylamino]butanimidamide?
The canonical SMILES for N'-hydroxy-4-[2-(1-methylpyrazol-4-yl)ethylamino]butanimidamide is Cn1cc(CCNCCC/C(N)=N/O)cn1.
What is the InChIKey of N'-hydroxy-4-[2-(1-methylpyrazol-4-yl)ethylamino]butanimidamide?
The InChIKey is XQSPJLCNENUANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O/c1-15-8-9(7-13-15)4-6-12-5-2-3-10(11)14-16/h7-8,12,16H,2-6H2,1H3,(H2,11,14).
What are the key properties of N'-hydroxy-4-[2-(1-methylpyrazol-4-yl)ethylamino]butanimidamide?
N'-hydroxy-4-[2-(1-methylpyrazol-4-yl)ethylamino]butanimidamide has a molecular weight of 225.30 g/mol, XLogP of 0.08, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[2-(1-methylpyrazol-4-yl)ethylamino]butanimidamide is sourced from PubChem (CID 80683127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).