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

C9H16N4 — CID 10511594

IUPACN'-(5-ethyl-1H-pyrazol-3-yl)butanimidamide
SMILESCCC/C(N)=N\c1cc(CC)[nH]n1
InChIInChI=1S/C9H16N4/c1-3-5-8(10)11-9-6-7(4-2)12-13-9/h6H,3-5H2,1-2H3,(H3,10,11,12,13)
InChIKeyHQSNUSWUZCZYMS-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.76
Rot. Bonds4

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

N'-(5-ethyl-1H-pyrazol-3-yl)butanimidamide (PubChem CID 10511594) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is N'-(5-ethyl-1H-pyrazol-3-yl)butanimidamide.

Molecular Properties

Compound NameN'-(5-ethyl-1H-pyrazol-3-yl)butanimidamide
PubChem CID10511594
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC NameN'-(5-ethyl-1H-pyrazol-3-yl)butanimidamide
SMILESCCC/C(N)=N\c1cc(CC)[nH]n1
InChIInChI=1S/C9H16N4/c1-3-5-8(10)11-9-6-7(4-2)12-13-9/h6H,3-5H2,1-2H3,(H3,10,11,12,13)
InChIKeyHQSNUSWUZCZYMS-UHFFFAOYSA-N
XLogP1.76
TPSA67.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(5-ethyl-1H-pyrazol-3-yl)butanimidamide?
The IUPAC name of N'-(5-ethyl-1H-pyrazol-3-yl)butanimidamide (CID 10511594) is N'-(5-ethyl-1H-pyrazol-3-yl)butanimidamide.
What is the SMILES notation for N'-(5-ethyl-1H-pyrazol-3-yl)butanimidamide?
The canonical SMILES for N'-(5-ethyl-1H-pyrazol-3-yl)butanimidamide is CCC/C(N)=N\c1cc(CC)[nH]n1.
What is the InChIKey of N'-(5-ethyl-1H-pyrazol-3-yl)butanimidamide?
The InChIKey is HQSNUSWUZCZYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-3-5-8(10)11-9-6-7(4-2)12-13-9/h6H,3-5H2,1-2H3,(H3,10,11,12,13).
What are the key properties of N'-(5-ethyl-1H-pyrazol-3-yl)butanimidamide?
N'-(5-ethyl-1H-pyrazol-3-yl)butanimidamide has a molecular weight of 180.25 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-ethyl-1H-pyrazol-3-yl)butanimidamide is sourced from PubChem (CID 10511594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).