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

C8H14N4 — CID 10844796

IUPACN'-(5-methyl-1H-pyrazol-3-yl)butanimidamide
SMILESCCC/C(N)=N\c1cc(C)[nH]n1
InChIInChI=1S/C8H14N4/c1-3-4-7(9)10-8-5-6(2)11-12-8/h5H,3-4H2,1-2H3,(H3,9,10,11,12)
InChIKeyMDIIPWHKEUWEFX-UHFFFAOYSA-N
MW166.23 g/mol
LogP1.51
Rot. Bonds3

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

N'-(5-methyl-1H-pyrazol-3-yl)butanimidamide (PubChem CID 10844796) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is N'-(5-methyl-1H-pyrazol-3-yl)butanimidamide.

Molecular Properties

Compound NameN'-(5-methyl-1H-pyrazol-3-yl)butanimidamide
PubChem CID10844796
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC NameN'-(5-methyl-1H-pyrazol-3-yl)butanimidamide
SMILESCCC/C(N)=N\c1cc(C)[nH]n1
InChIInChI=1S/C8H14N4/c1-3-4-7(9)10-8-5-6(2)11-12-8/h5H,3-4H2,1-2H3,(H3,9,10,11,12)
InChIKeyMDIIPWHKEUWEFX-UHFFFAOYSA-N
XLogP1.51
TPSA67.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 51.51
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-methyl-1H-pyrazol-3-yl)butanimidamide?
The IUPAC name of N'-(5-methyl-1H-pyrazol-3-yl)butanimidamide (CID 10844796) is N'-(5-methyl-1H-pyrazol-3-yl)butanimidamide.
What is the SMILES notation for N'-(5-methyl-1H-pyrazol-3-yl)butanimidamide?
The canonical SMILES for N'-(5-methyl-1H-pyrazol-3-yl)butanimidamide is CCC/C(N)=N\c1cc(C)[nH]n1.
What is the InChIKey of N'-(5-methyl-1H-pyrazol-3-yl)butanimidamide?
The InChIKey is MDIIPWHKEUWEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-3-4-7(9)10-8-5-6(2)11-12-8/h5H,3-4H2,1-2H3,(H3,9,10,11,12).
What are the key properties of N'-(5-methyl-1H-pyrazol-3-yl)butanimidamide?
N'-(5-methyl-1H-pyrazol-3-yl)butanimidamide has a molecular weight of 166.23 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-methyl-1H-pyrazol-3-yl)butanimidamide is sourced from PubChem (CID 10844796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).