N'-pentylpyrazole-1-carboximidamide;hydrochloride

C9H17ClN4 — CID 45261131

IUPACN'-pentylpyrazole-1-carboximidamide;hydrochloride
SMILESCCCCC/N=C(\N)n1cccn1.Cl
InChIInChI=1S/C9H16N4.ClH/c1-2-3-4-6-11-9(10)13-8-5-7-12-13;/h5,7-8H,2-4,6H2,1H3,(H2,10,11);1H
InChIKeyUSZBGELBNMVESP-UHFFFAOYSA-N
MW216.72 g/mol
LogP1.66
Rot. Bonds4

About N'-pentylpyrazole-1-carboximidamide;hydrochloride

N'-pentylpyrazole-1-carboximidamide;hydrochloride (PubChem CID 45261131) has the molecular formula C9H17ClN4 and a molecular weight of 216.72 g/mol. Its IUPAC name is N'-pentylpyrazole-1-carboximidamide;hydrochloride.

Molecular Properties

Compound NameN'-pentylpyrazole-1-carboximidamide;hydrochloride
PubChem CID45261131
Molecular FormulaC9H17ClN4
Molecular Weight216.72 g/mol
Exact Mass216.11
IUPAC NameN'-pentylpyrazole-1-carboximidamide;hydrochloride
SMILESCCCCC/N=C(\N)n1cccn1.Cl
InChIInChI=1S/C9H16N4.ClH/c1-2-3-4-6-11-9(10)13-8-5-7-12-13;/h5,7-8H,2-4,6H2,1H3,(H2,10,11);1H
InChIKeyUSZBGELBNMVESP-UHFFFAOYSA-N
XLogP1.66
TPSA56.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.72
LogP ≤ 51.66
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'}

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Frequently Asked Questions

What is the IUPAC name of N'-pentylpyrazole-1-carboximidamide;hydrochloride?
The IUPAC name of N'-pentylpyrazole-1-carboximidamide;hydrochloride (CID 45261131) is N'-pentylpyrazole-1-carboximidamide;hydrochloride.
What is the SMILES notation for N'-pentylpyrazole-1-carboximidamide;hydrochloride?
The canonical SMILES for N'-pentylpyrazole-1-carboximidamide;hydrochloride is CCCCC/N=C(\N)n1cccn1.Cl.
What is the InChIKey of N'-pentylpyrazole-1-carboximidamide;hydrochloride?
The InChIKey is USZBGELBNMVESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4.ClH/c1-2-3-4-6-11-9(10)13-8-5-7-12-13;/h5,7-8H,2-4,6H2,1H3,(H2,10,11);1H.
What are the key properties of N'-pentylpyrazole-1-carboximidamide;hydrochloride?
N'-pentylpyrazole-1-carboximidamide;hydrochloride has a molecular weight of 216.72 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-pentylpyrazole-1-carboximidamide;hydrochloride is sourced from PubChem (CID 45261131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).