N'-(4-ethyl-1H-pyrazol-5-yl)-N-hydroxyethanimidamide

C7H12N4O — CID 22864853

IUPACN'-(4-ethyl-1H-pyrazol-5-yl)-N-hydroxyethanimidamide
SMILESCCc1cn[nH]c1/N=C(\C)NO
InChIInChI=1S/C7H12N4O/c1-3-6-4-8-10-7(6)9-5(2)11-12/h4,12H,3H2,1-2H3,(H2,8,9,10,11)
InChIKeyAOMOHOFEZICENN-UHFFFAOYSA-N
MW168.20 g/mol
LogP1.00
Rot. Bonds2

About N'-(4-ethyl-1H-pyrazol-5-yl)-N-hydroxyethanimidamide

N'-(4-ethyl-1H-pyrazol-5-yl)-N-hydroxyethanimidamide (PubChem CID 22864853) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is N'-(4-ethyl-1H-pyrazol-5-yl)-N-hydroxyethanimidamide.

Molecular Properties

Compound NameN'-(4-ethyl-1H-pyrazol-5-yl)-N-hydroxyethanimidamide
PubChem CID22864853
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC NameN'-(4-ethyl-1H-pyrazol-5-yl)-N-hydroxyethanimidamide
SMILESCCc1cn[nH]c1/N=C(\C)NO
InChIInChI=1S/C7H12N4O/c1-3-6-4-8-10-7(6)9-5(2)11-12/h4,12H,3H2,1-2H3,(H2,8,9,10,11)
InChIKeyAOMOHOFEZICENN-UHFFFAOYSA-N
XLogP1.00
TPSA73.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(4-ethyl-1H-pyrazol-5-yl)-N-hydroxypentanimidamide
CID 54452276
ethyl 5-[(E)-1-(hydroxyamino)ethylideneamino]-1H-pyrazole-4-carboxylate
CID 18355211
5-bromo-4-ethyl-1H-pyrazole
CID 84655098
N-hydroxy-N'-(4-methyl-1H-pyrazol-5-yl)propanimidamide
CID 54250230
4-ethyl-5-prop-1-en-2-yl-1H-pyrazole
CID 138671207
N-[3-[(4-ethyl-1H-pyrazol-5-yl)amino]propylidene]hydroxylamine
CID 174305472
(2S)-2-amino-3-(3,4-dihydroxyphenyl)-N-(4-ethyl-1H-pyrazol-5-yl)propanamide
CID 104619226
3-bromo-N-(4-ethyl-1H-pyrazol-5-yl)propanamide
CID 104617783
N-(4-ethyl-1H-pyrazol-5-yl)-2-methylsulfanylacetamide
CID 115680788
N-(4-ethyl-1H-pyrazol-5-yl)propane-1-sulfonamide
CID 104620984
2-amino-N-(4-ethyl-1H-pyrazol-5-yl)-3-phenylpropanamide
CID 104619330
N-(4-ethyl-1H-pyrazol-5-yl)pyrimidine-5-carboxamide
CID 104629328

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethyl-1H-pyrazol-5-yl)-N-hydroxyethanimidamide?
The IUPAC name of N'-(4-ethyl-1H-pyrazol-5-yl)-N-hydroxyethanimidamide (CID 22864853) is N'-(4-ethyl-1H-pyrazol-5-yl)-N-hydroxyethanimidamide.
What is the SMILES notation for N'-(4-ethyl-1H-pyrazol-5-yl)-N-hydroxyethanimidamide?
The canonical SMILES for N'-(4-ethyl-1H-pyrazol-5-yl)-N-hydroxyethanimidamide is CCc1cn[nH]c1/N=C(\C)NO.
What is the InChIKey of N'-(4-ethyl-1H-pyrazol-5-yl)-N-hydroxyethanimidamide?
The InChIKey is AOMOHOFEZICENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-3-6-4-8-10-7(6)9-5(2)11-12/h4,12H,3H2,1-2H3,(H2,8,9,10,11).
What are the key properties of N'-(4-ethyl-1H-pyrazol-5-yl)-N-hydroxyethanimidamide?
N'-(4-ethyl-1H-pyrazol-5-yl)-N-hydroxyethanimidamide has a molecular weight of 168.20 g/mol, XLogP of 1.00, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethyl-1H-pyrazol-5-yl)-N-hydroxyethanimidamide is sourced from PubChem (CID 22864853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).