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

C8H14N4O — CID 10583581

IUPACN'-(4-ethyl-1H-pyrazol-5-yl)-N-hydroxypropanimidamide
SMILESCC/C(=N/c1[nH]ncc1CC)NO
InChIInChI=1S/C8H14N4O/c1-3-6-5-9-11-8(6)10-7(4-2)12-13/h5,13H,3-4H2,1-2H3,(H2,9,10,11,12)
InChIKeyHASBLYPLQXQVGH-UHFFFAOYSA-N
MW182.23 g/mol
LogP1.39
Rot. Bonds3

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

N'-(4-ethyl-1H-pyrazol-5-yl)-N-hydroxypropanimidamide (PubChem CID 10583581) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is N'-(4-ethyl-1H-pyrazol-5-yl)-N-hydroxypropanimidamide.

Molecular Properties

Compound NameN'-(4-ethyl-1H-pyrazol-5-yl)-N-hydroxypropanimidamide
PubChem CID10583581
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC NameN'-(4-ethyl-1H-pyrazol-5-yl)-N-hydroxypropanimidamide
SMILESCC/C(=N/c1[nH]ncc1CC)NO
InChIInChI=1S/C8H14N4O/c1-3-6-5-9-11-8(6)10-7(4-2)12-13/h5,13H,3-4H2,1-2H3,(H2,9,10,11,12)
InChIKeyHASBLYPLQXQVGH-UHFFFAOYSA-N
XLogP1.39
TPSA73.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 51.39
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-hydroxypropanimidamide?
The IUPAC name of N'-(4-ethyl-1H-pyrazol-5-yl)-N-hydroxypropanimidamide (CID 10583581) is N'-(4-ethyl-1H-pyrazol-5-yl)-N-hydroxypropanimidamide.
What is the SMILES notation for N'-(4-ethyl-1H-pyrazol-5-yl)-N-hydroxypropanimidamide?
The canonical SMILES for N'-(4-ethyl-1H-pyrazol-5-yl)-N-hydroxypropanimidamide is CC/C(=N/c1[nH]ncc1CC)NO.
What is the InChIKey of N'-(4-ethyl-1H-pyrazol-5-yl)-N-hydroxypropanimidamide?
The InChIKey is HASBLYPLQXQVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-3-6-5-9-11-8(6)10-7(4-2)12-13/h5,13H,3-4H2,1-2H3,(H2,9,10,11,12).
What are the key properties of N'-(4-ethyl-1H-pyrazol-5-yl)-N-hydroxypropanimidamide?
N'-(4-ethyl-1H-pyrazol-5-yl)-N-hydroxypropanimidamide has a molecular weight of 182.23 g/mol, XLogP of 1.39, 3 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-hydroxypropanimidamide is sourced from PubChem (CID 10583581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).