N'-(5-propyl-1H-pyrazol-3-yl)butanimidamide;hydrochloride

C10H19ClN4 — CID 19002148

IUPACN'-(5-propyl-1H-pyrazol-3-yl)butanimidamide;hydrochloride
SMILESCCC/C(N)=N\c1cc(CCC)[nH]n1.Cl
InChIInChI=1S/C10H18N4.ClH/c1-3-5-8-7-10(14-13-8)12-9(11)6-4-2;/h7H,3-6H2,1-2H3,(H3,11,12,13,14);1H
InChIKeyNZXDNAICBDURIH-UHFFFAOYSA-N
MW230.74 g/mol
LogP2.57
Rot. Bonds5

About N'-(5-propyl-1H-pyrazol-3-yl)butanimidamide;hydrochloride

N'-(5-propyl-1H-pyrazol-3-yl)butanimidamide;hydrochloride (PubChem CID 19002148) has the molecular formula C10H19ClN4 and a molecular weight of 230.74 g/mol. Its IUPAC name is N'-(5-propyl-1H-pyrazol-3-yl)butanimidamide;hydrochloride.

Molecular Properties

Compound NameN'-(5-propyl-1H-pyrazol-3-yl)butanimidamide;hydrochloride
PubChem CID19002148
Molecular FormulaC10H19ClN4
Molecular Weight230.74 g/mol
Exact Mass230.13
IUPAC NameN'-(5-propyl-1H-pyrazol-3-yl)butanimidamide;hydrochloride
SMILESCCC/C(N)=N\c1cc(CCC)[nH]n1.Cl
InChIInChI=1S/C10H18N4.ClH/c1-3-5-8-7-10(14-13-8)12-9(11)6-4-2;/h7H,3-6H2,1-2H3,(H3,11,12,13,14);1H
InChIKeyNZXDNAICBDURIH-UHFFFAOYSA-N
XLogP2.57
TPSA67.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.74
LogP ≤ 52.57
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-propyl-1H-pyrazol-3-yl)butanimidamide;hydrochloride?
The IUPAC name of N'-(5-propyl-1H-pyrazol-3-yl)butanimidamide;hydrochloride (CID 19002148) is N'-(5-propyl-1H-pyrazol-3-yl)butanimidamide;hydrochloride.
What is the SMILES notation for N'-(5-propyl-1H-pyrazol-3-yl)butanimidamide;hydrochloride?
The canonical SMILES for N'-(5-propyl-1H-pyrazol-3-yl)butanimidamide;hydrochloride is CCC/C(N)=N\c1cc(CCC)[nH]n1.Cl.
What is the InChIKey of N'-(5-propyl-1H-pyrazol-3-yl)butanimidamide;hydrochloride?
The InChIKey is NZXDNAICBDURIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4.ClH/c1-3-5-8-7-10(14-13-8)12-9(11)6-4-2;/h7H,3-6H2,1-2H3,(H3,11,12,13,14);1H.
What are the key properties of N'-(5-propyl-1H-pyrazol-3-yl)butanimidamide;hydrochloride?
N'-(5-propyl-1H-pyrazol-3-yl)butanimidamide;hydrochloride has a molecular weight of 230.74 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-propyl-1H-pyrazol-3-yl)butanimidamide;hydrochloride is sourced from PubChem (CID 19002148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).