N'-butylpyrazole-1-carboximidamide;hydrochloride

C8H15ClN4 — CID 45261125

IUPACN'-butylpyrazole-1-carboximidamide;hydrochloride
SMILESCCCC/N=C(\N)n1cccn1.Cl
InChIInChI=1S/C8H14N4.ClH/c1-2-3-5-10-8(9)12-7-4-6-11-12;/h4,6-7H,2-3,5H2,1H3,(H2,9,10);1H
InChIKeyZLLXHPGGLFQPJC-UHFFFAOYSA-N
MW202.69 g/mol
LogP1.27
Rot. Bonds3

About N'-butylpyrazole-1-carboximidamide;hydrochloride

N'-butylpyrazole-1-carboximidamide;hydrochloride (PubChem CID 45261125) has the molecular formula C8H15ClN4 and a molecular weight of 202.69 g/mol. Its IUPAC name is N'-butylpyrazole-1-carboximidamide;hydrochloride.

Molecular Properties

Compound NameN'-butylpyrazole-1-carboximidamide;hydrochloride
PubChem CID45261125
Molecular FormulaC8H15ClN4
Molecular Weight202.69 g/mol
Exact Mass202.10
IUPAC NameN'-butylpyrazole-1-carboximidamide;hydrochloride
SMILESCCCC/N=C(\N)n1cccn1.Cl
InChIInChI=1S/C8H14N4.ClH/c1-2-3-5-10-8(9)12-7-4-6-11-12;/h4,6-7H,2-3,5H2,1H3,(H2,9,10);1H
InChIKeyZLLXHPGGLFQPJC-UHFFFAOYSA-N
XLogP1.27
TPSA56.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.69
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-butylpyrazole-1-carboximidamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-butylpyrazole-1-carboximidamide;hydrochloride?
The IUPAC name of N'-butylpyrazole-1-carboximidamide;hydrochloride (CID 45261125) is N'-butylpyrazole-1-carboximidamide;hydrochloride.
What is the SMILES notation for N'-butylpyrazole-1-carboximidamide;hydrochloride?
The canonical SMILES for N'-butylpyrazole-1-carboximidamide;hydrochloride is CCCC/N=C(\N)n1cccn1.Cl.
What is the InChIKey of N'-butylpyrazole-1-carboximidamide;hydrochloride?
The InChIKey is ZLLXHPGGLFQPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4.ClH/c1-2-3-5-10-8(9)12-7-4-6-11-12;/h4,6-7H,2-3,5H2,1H3,(H2,9,10);1H.
What are the key properties of N'-butylpyrazole-1-carboximidamide;hydrochloride?
N'-butylpyrazole-1-carboximidamide;hydrochloride has a molecular weight of 202.69 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butylpyrazole-1-carboximidamide;hydrochloride is sourced from PubChem (CID 45261125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).