N'-propylpyrazole-1-carboximidamide;hydrochloride

C7H13ClN4 — CID 45264946

IUPACN'-propylpyrazole-1-carboximidamide;hydrochloride
SMILESCCC/N=C(\N)n1cccn1.Cl
InChIInChI=1S/C7H12N4.ClH/c1-2-4-9-7(8)11-6-3-5-10-11;/h3,5-6H,2,4H2,1H3,(H2,8,9);1H
InChIKeySMTGBEIHRBSAIR-UHFFFAOYSA-N
MW188.66 g/mol
LogP0.88
Rot. Bonds2

About N'-propylpyrazole-1-carboximidamide;hydrochloride

N'-propylpyrazole-1-carboximidamide;hydrochloride (PubChem CID 45264946) has the molecular formula C7H13ClN4 and a molecular weight of 188.66 g/mol. Its IUPAC name is N'-propylpyrazole-1-carboximidamide;hydrochloride.

Molecular Properties

Compound NameN'-propylpyrazole-1-carboximidamide;hydrochloride
PubChem CID45264946
Molecular FormulaC7H13ClN4
Molecular Weight188.66 g/mol
Exact Mass188.08
IUPAC NameN'-propylpyrazole-1-carboximidamide;hydrochloride
SMILESCCC/N=C(\N)n1cccn1.Cl
InChIInChI=1S/C7H12N4.ClH/c1-2-4-9-7(8)11-6-3-5-10-11;/h3,5-6H,2,4H2,1H3,(H2,8,9);1H
InChIKeySMTGBEIHRBSAIR-UHFFFAOYSA-N
XLogP0.88
TPSA56.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.66
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'-propylpyrazole-1-carboximidamide;hydrochloride?
The IUPAC name of N'-propylpyrazole-1-carboximidamide;hydrochloride (CID 45264946) is N'-propylpyrazole-1-carboximidamide;hydrochloride.
What is the SMILES notation for N'-propylpyrazole-1-carboximidamide;hydrochloride?
The canonical SMILES for N'-propylpyrazole-1-carboximidamide;hydrochloride is CCC/N=C(\N)n1cccn1.Cl.
What is the InChIKey of N'-propylpyrazole-1-carboximidamide;hydrochloride?
The InChIKey is SMTGBEIHRBSAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4.ClH/c1-2-4-9-7(8)11-6-3-5-10-11;/h3,5-6H,2,4H2,1H3,(H2,8,9);1H.
What are the key properties of N'-propylpyrazole-1-carboximidamide;hydrochloride?
N'-propylpyrazole-1-carboximidamide;hydrochloride has a molecular weight of 188.66 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propylpyrazole-1-carboximidamide;hydrochloride is sourced from PubChem (CID 45264946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).