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

C10H18N4O — CID 54452276

IUPACN'-(4-ethyl-1H-pyrazol-5-yl)-N-hydroxypentanimidamide
SMILESCCCCC(=Nc1[nH]ncc1CC)NO
InChIInChI=1S/C10H18N4O/c1-3-5-6-9(14-15)12-10-8(4-2)7-11-13-10/h7,15H,3-6H2,1-2H3,(H2,11,12,13,14)
InChIKeyWVTKNHNRHDDJRH-UHFFFAOYSA-N
MW210.28 g/mol
LogP2.17
Rot. Bonds5

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

N'-(4-ethyl-1H-pyrazol-5-yl)-N-hydroxypentanimidamide (PubChem CID 54452276) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is N'-(4-ethyl-1H-pyrazol-5-yl)-N-hydroxypentanimidamide.

Molecular Properties

Compound NameN'-(4-ethyl-1H-pyrazol-5-yl)-N-hydroxypentanimidamide
PubChem CID54452276
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC NameN'-(4-ethyl-1H-pyrazol-5-yl)-N-hydroxypentanimidamide
SMILESCCCCC(=Nc1[nH]ncc1CC)NO
InChIInChI=1S/C10H18N4O/c1-3-5-6-9(14-15)12-10-8(4-2)7-11-13-10/h7,15H,3-6H2,1-2H3,(H2,11,12,13,14)
InChIKeyWVTKNHNRHDDJRH-UHFFFAOYSA-N
XLogP2.17
TPSA73.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 52.17
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'-(4-ethyl-1H-pyrazol-5-yl)-N-hydroxypentanimidamide?
The IUPAC name of N'-(4-ethyl-1H-pyrazol-5-yl)-N-hydroxypentanimidamide (CID 54452276) is N'-(4-ethyl-1H-pyrazol-5-yl)-N-hydroxypentanimidamide.
What is the SMILES notation for N'-(4-ethyl-1H-pyrazol-5-yl)-N-hydroxypentanimidamide?
The canonical SMILES for N'-(4-ethyl-1H-pyrazol-5-yl)-N-hydroxypentanimidamide is CCCCC(=Nc1[nH]ncc1CC)NO.
What is the InChIKey of N'-(4-ethyl-1H-pyrazol-5-yl)-N-hydroxypentanimidamide?
The InChIKey is WVTKNHNRHDDJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-3-5-6-9(14-15)12-10-8(4-2)7-11-13-10/h7,15H,3-6H2,1-2H3,(H2,11,12,13,14).
What are the key properties of N'-(4-ethyl-1H-pyrazol-5-yl)-N-hydroxypentanimidamide?
N'-(4-ethyl-1H-pyrazol-5-yl)-N-hydroxypentanimidamide has a molecular weight of 210.28 g/mol, XLogP of 2.17, 5 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-hydroxypentanimidamide is sourced from PubChem (CID 54452276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).