N'-(cyclopropylmethyl)pyrazole-1-carboximidamide;hydrochloride

C8H13ClN4 — CID 45261176

IUPACN'-(cyclopropylmethyl)pyrazole-1-carboximidamide;hydrochloride
SMILESCl.N/C(=N\CC1CC1)n1cccn1
InChIInChI=1S/C8H12N4.ClH/c9-8(10-6-7-2-3-7)12-5-1-4-11-12;/h1,4-5,7H,2-3,6H2,(H2,9,10);1H
InChIKeyZAPUGTGSRXOJIY-UHFFFAOYSA-N
MW200.67 g/mol
LogP0.88
Rot. Bonds2

About N'-(cyclopropylmethyl)pyrazole-1-carboximidamide;hydrochloride

N'-(cyclopropylmethyl)pyrazole-1-carboximidamide;hydrochloride (PubChem CID 45261176) has the molecular formula C8H13ClN4 and a molecular weight of 200.67 g/mol. Its IUPAC name is N'-(cyclopropylmethyl)pyrazole-1-carboximidamide;hydrochloride.

Molecular Properties

Compound NameN'-(cyclopropylmethyl)pyrazole-1-carboximidamide;hydrochloride
PubChem CID45261176
Molecular FormulaC8H13ClN4
Molecular Weight200.67 g/mol
Exact Mass200.08
IUPAC NameN'-(cyclopropylmethyl)pyrazole-1-carboximidamide;hydrochloride
SMILESCl.N/C(=N\CC1CC1)n1cccn1
InChIInChI=1S/C8H12N4.ClH/c9-8(10-6-7-2-3-7)12-5-1-4-11-12;/h1,4-5,7H,2-3,6H2,(H2,9,10);1H
InChIKeyZAPUGTGSRXOJIY-UHFFFAOYSA-N
XLogP0.88
TPSA56.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
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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Related Compounds

Pyrazole-1-carboxamidine monohydrochloride
CID 2734672
Praxadine
CID 2734673
N-Propyl-pyrazole-1-carboxamidine; hydrochloride
CID 44326871
N'-propylpyrazole-1-carboximidamide;hydrochloride
CID 45264946
N-Cyclopropylmethyl-pyrazole-1-carboxamidine
CID 44326650
N-(4-Amino-butyl)-pyrazole-1-carboxamidine; hydrochloride
CID 44326665
N'-(4-aminobutyl)pyrazole-1-carboximidamide;dihydrochloride
CID 45261168
N-Pentyl-pyrazole-1-carboxamidine; hydrochloride
CID 44326626
N-Butyl-pyrazole-1-carboxamidine; hydrochloride
CID 44326869
N'-butylpyrazole-1-carboximidamide;hydrochloride
CID 45261125
N'-pentylpyrazole-1-carboximidamide;hydrochloride
CID 45261131
N-Cyano-1H-pyrazole-1-carboximidamide
CID 102043998

Frequently Asked Questions

What is the IUPAC name of N'-(cyclopropylmethyl)pyrazole-1-carboximidamide;hydrochloride?
The IUPAC name of N'-(cyclopropylmethyl)pyrazole-1-carboximidamide;hydrochloride (CID 45261176) is N'-(cyclopropylmethyl)pyrazole-1-carboximidamide;hydrochloride.
What is the SMILES notation for N'-(cyclopropylmethyl)pyrazole-1-carboximidamide;hydrochloride?
The canonical SMILES for N'-(cyclopropylmethyl)pyrazole-1-carboximidamide;hydrochloride is Cl.N/C(=N\CC1CC1)n1cccn1.
What is the InChIKey of N'-(cyclopropylmethyl)pyrazole-1-carboximidamide;hydrochloride?
The InChIKey is ZAPUGTGSRXOJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4.ClH/c9-8(10-6-7-2-3-7)12-5-1-4-11-12;/h1,4-5,7H,2-3,6H2,(H2,9,10);1H.
What are the key properties of N'-(cyclopropylmethyl)pyrazole-1-carboximidamide;hydrochloride?
N'-(cyclopropylmethyl)pyrazole-1-carboximidamide;hydrochloride has a molecular weight of 200.67 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'-(cyclopropylmethyl)pyrazole-1-carboximidamide;hydrochloride is sourced from PubChem (CID 45261176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).