N'-(5-ethyl-1H-pyrazol-3-yl)-N-hydroxybutanimidamide

C9H16N4O — CID 10797953

IUPACN'-(5-ethyl-1H-pyrazol-3-yl)-N-hydroxybutanimidamide
SMILESCCC/C(=N\c1cc(CC)[nH]n1)NO
InChIInChI=1S/C9H16N4O/c1-3-5-8(13-14)10-9-6-7(4-2)11-12-9/h6,14H,3-5H2,1-2H3,(H2,10,11,12,13)
InChIKeyWNWNIRVYQHMEJM-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.78
Rot. Bonds4

About N'-(5-ethyl-1H-pyrazol-3-yl)-N-hydroxybutanimidamide

N'-(5-ethyl-1H-pyrazol-3-yl)-N-hydroxybutanimidamide (PubChem CID 10797953) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is N'-(5-ethyl-1H-pyrazol-3-yl)-N-hydroxybutanimidamide.

Molecular Properties

Compound NameN'-(5-ethyl-1H-pyrazol-3-yl)-N-hydroxybutanimidamide
PubChem CID10797953
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC NameN'-(5-ethyl-1H-pyrazol-3-yl)-N-hydroxybutanimidamide
SMILESCCC/C(=N\c1cc(CC)[nH]n1)NO
InChIInChI=1S/C9H16N4O/c1-3-5-8(13-14)10-9-6-7(4-2)11-12-9/h6,14H,3-5H2,1-2H3,(H2,10,11,12,13)
InChIKeyWNWNIRVYQHMEJM-UHFFFAOYSA-N
XLogP1.78
TPSA73.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.78
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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Frequently Asked Questions

What is the IUPAC name of N'-(5-ethyl-1H-pyrazol-3-yl)-N-hydroxybutanimidamide?
The IUPAC name of N'-(5-ethyl-1H-pyrazol-3-yl)-N-hydroxybutanimidamide (CID 10797953) is N'-(5-ethyl-1H-pyrazol-3-yl)-N-hydroxybutanimidamide.
What is the SMILES notation for N'-(5-ethyl-1H-pyrazol-3-yl)-N-hydroxybutanimidamide?
The canonical SMILES for N'-(5-ethyl-1H-pyrazol-3-yl)-N-hydroxybutanimidamide is CCC/C(=N\c1cc(CC)[nH]n1)NO.
What is the InChIKey of N'-(5-ethyl-1H-pyrazol-3-yl)-N-hydroxybutanimidamide?
The InChIKey is WNWNIRVYQHMEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-3-5-8(13-14)10-9-6-7(4-2)11-12-9/h6,14H,3-5H2,1-2H3,(H2,10,11,12,13).
What are the key properties of N'-(5-ethyl-1H-pyrazol-3-yl)-N-hydroxybutanimidamide?
N'-(5-ethyl-1H-pyrazol-3-yl)-N-hydroxybutanimidamide has a molecular weight of 196.25 g/mol, XLogP of 1.78, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-ethyl-1H-pyrazol-3-yl)-N-hydroxybutanimidamide is sourced from PubChem (CID 10797953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).