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

C8H15N5O — CID 80683125

IUPACN'-hydroxy-2-[2-(1-methylpyrazol-4-yl)ethylamino]ethanimidamide
SMILESCn1cc(CCNC/C(N)=N/O)cn1
InChIInChI=1S/C8H15N5O/c1-13-6-7(4-11-13)2-3-10-5-8(9)12-14/h4,6,10,14H,2-3,5H2,1H3,(H2,9,12)
InChIKeyUDGOCPFNOPJIFK-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.70
Rot. Bonds5

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

N'-hydroxy-2-[2-(1-methylpyrazol-4-yl)ethylamino]ethanimidamide (PubChem CID 80683125) has the molecular formula C8H15N5O and a molecular weight of 197.24 g/mol. Its IUPAC name is N'-hydroxy-2-[2-(1-methylpyrazol-4-yl)ethylamino]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[2-(1-methylpyrazol-4-yl)ethylamino]ethanimidamide
PubChem CID80683125
Molecular FormulaC8H15N5O
Molecular Weight197.24 g/mol
Exact Mass197.13
IUPAC NameN'-hydroxy-2-[2-(1-methylpyrazol-4-yl)ethylamino]ethanimidamide
SMILESCn1cc(CCNC/C(N)=N/O)cn1
InChIInChI=1S/C8H15N5O/c1-13-6-7(4-11-13)2-3-10-5-8(9)12-14/h4,6,10,14H,2-3,5H2,1H3,(H2,9,12)
InChIKeyUDGOCPFNOPJIFK-UHFFFAOYSA-N
XLogP-0.70
TPSA88.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.70
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-[2-(1-methylpyrazol-4-yl)ethylamino]butanimidamide
CID 80683127
N'-hydroxy-4-[(1-methylpyrazol-4-yl)methylamino]butanimidamide
CID 77031221
N'-hydroxy-5-[(1-methylpyrazol-4-yl)methylamino]pentanimidamide
CID 77030608
N-cyclopropyl-2-[2-(1-methylpyrazol-4-yl)ethylamino]acetamide
CID 80688588
N-[(1-methylcyclobutyl)methyl]-2-(1-methylpyrazol-4-yl)ethanamine
CID 106813065
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2-(1-methylpyrazol-4-yl)ethanamine
CID 80688741
2-[2-[2-(1-methylpyrazol-4-yl)ethylamino]ethoxy]acetamide
CID 106238366
N-(2-methoxyethyl)-2-[2-(1-methylpyrazol-4-yl)ethylamino]acetamide
CID 80689226
N-[2-(1-methylpyrazol-4-yl)ethyl]-2-pyridin-4-ylethanamine
CID 80688590
4-[2-[(1-methylpyrazol-4-yl)methylamino]ethyl]phenol
CID 61238205
3-methyl-1-[2-(1-methylpyrazol-4-yl)ethylamino]butan-2-ol
CID 103002168
N-[(4-fluorophenyl)methyl]-2-(1-methylpyrazol-4-yl)ethanamine
CID 112730059

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[2-(1-methylpyrazol-4-yl)ethylamino]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[2-(1-methylpyrazol-4-yl)ethylamino]ethanimidamide (CID 80683125) is N'-hydroxy-2-[2-(1-methylpyrazol-4-yl)ethylamino]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[2-(1-methylpyrazol-4-yl)ethylamino]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[2-(1-methylpyrazol-4-yl)ethylamino]ethanimidamide is Cn1cc(CCNC/C(N)=N/O)cn1.
What is the InChIKey of N'-hydroxy-2-[2-(1-methylpyrazol-4-yl)ethylamino]ethanimidamide?
The InChIKey is UDGOCPFNOPJIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O/c1-13-6-7(4-11-13)2-3-10-5-8(9)12-14/h4,6,10,14H,2-3,5H2,1H3,(H2,9,12).
What are the key properties of N'-hydroxy-2-[2-(1-methylpyrazol-4-yl)ethylamino]ethanimidamide?
N'-hydroxy-2-[2-(1-methylpyrazol-4-yl)ethylamino]ethanimidamide has a molecular weight of 197.24 g/mol, XLogP of -0.70, 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-(1-methylpyrazol-4-yl)ethylamino]ethanimidamide is sourced from PubChem (CID 80683125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).