2-[(1-ethylpyrazol-4-yl)methyl-methylamino]-N'-hydroxyethanimidamide

C9H17N5O — CID 76936309

IUPAC2-[(1-ethylpyrazol-4-yl)methyl-methylamino]-N'-hydroxyethanimidamide
SMILESCCn1cc(CN(C)CC(N)=NO)cn1
InChIInChI=1S/C9H17N5O/c1-3-14-6-8(4-11-14)5-13(2)7-9(10)12-15/h4,6,15H,3,5,7H2,1-2H3,(H2,10,12)
InChIKeySEASOMFJAGOJKA-UHFFFAOYSA-N
MW211.27 g/mol
LogP0.08
Rot. Bonds5

About 2-[(1-ethylpyrazol-4-yl)methyl-methylamino]-N'-hydroxyethanimidamide

2-[(1-ethylpyrazol-4-yl)methyl-methylamino]-N'-hydroxyethanimidamide (PubChem CID 76936309) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is 2-[(1-ethylpyrazol-4-yl)methyl-methylamino]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[(1-ethylpyrazol-4-yl)methyl-methylamino]-N'-hydroxyethanimidamide
PubChem CID76936309
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC Name2-[(1-ethylpyrazol-4-yl)methyl-methylamino]-N'-hydroxyethanimidamide
SMILESCCn1cc(CN(C)CC(N)=NO)cn1
InChIInChI=1S/C9H17N5O/c1-3-14-6-8(4-11-14)5-13(2)7-9(10)12-15/h4,6,15H,3,5,7H2,1-2H3,(H2,10,12)
InChIKeySEASOMFJAGOJKA-UHFFFAOYSA-N
XLogP0.08
TPSA79.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 50.08
H-Bond Donors ≤ 52
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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Related Compounds

3-[N-[(1-ethylpyrazol-4-yl)methyl]anilino]-N'-hydroxypropanimidamide
CID 76936298
4-[[(1-ethylpyrazol-4-yl)methyl-methylamino]methyl]aniline
CID 62127965
ethyl 3-[(1-ethylpyrazol-4-yl)methyl-methylamino]propanoate
CID 55040533
N'-[(1-ethylpyrazol-4-yl)methyl]-N',2,2-trimethylpropane-1,3-diamine
CID 79652366
1-(3-chloro-5-fluorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylmethanamine
CID 77079167
N'-hydroxy-2-[methyl-[(5-methyl-3-pyridinyl)methyl]amino]ethanimidamide
CID 102881366
4-[[(1-ethylpyrazol-4-yl)methyl-methylamino]methyl]benzoic acid
CID 62126061
1,4-diethylpyrazole;ethane
CID 143641951
2-[(1-ethylpyrazol-4-yl)methyl-(2-hydroxyethyl)amino]ethanol
CID 62128238
2-[(1-ethylpyrazol-4-yl)methyl-methylamino]-N-(2-fluorophenyl)acetamide
CID 22194251
1-(3-bromophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylmethanamine
CID 22194310
2-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylacetamide
CID 19619348

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpyrazol-4-yl)methyl-methylamino]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[(1-ethylpyrazol-4-yl)methyl-methylamino]-N'-hydroxyethanimidamide (CID 76936309) is 2-[(1-ethylpyrazol-4-yl)methyl-methylamino]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[(1-ethylpyrazol-4-yl)methyl-methylamino]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[(1-ethylpyrazol-4-yl)methyl-methylamino]-N'-hydroxyethanimidamide is CCn1cc(CN(C)CC(N)=NO)cn1.
What is the InChIKey of 2-[(1-ethylpyrazol-4-yl)methyl-methylamino]-N'-hydroxyethanimidamide?
The InChIKey is SEASOMFJAGOJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O/c1-3-14-6-8(4-11-14)5-13(2)7-9(10)12-15/h4,6,15H,3,5,7H2,1-2H3,(H2,10,12).
What are the key properties of 2-[(1-ethylpyrazol-4-yl)methyl-methylamino]-N'-hydroxyethanimidamide?
2-[(1-ethylpyrazol-4-yl)methyl-methylamino]-N'-hydroxyethanimidamide has a molecular weight of 211.27 g/mol, XLogP of 0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpyrazol-4-yl)methyl-methylamino]-N'-hydroxyethanimidamide is sourced from PubChem (CID 76936309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).