N'-(2-methylpropyl)pyrazole-1-carboximidamide;hydrochloride

C8H15ClN4 — CID 45261144

IUPACN'-(2-methylpropyl)pyrazole-1-carboximidamide;hydrochloride
SMILESCC(C)C/N=C(\N)n1cccn1.Cl
InChIInChI=1S/C8H14N4.ClH/c1-7(2)6-10-8(9)12-5-3-4-11-12;/h3-5,7H,6H2,1-2H3,(H2,9,10);1H
InChIKeyABCDEHOKPFYOCY-UHFFFAOYSA-N
MW202.69 g/mol
LogP1.12
Rot. Bonds2

About N'-(2-methylpropyl)pyrazole-1-carboximidamide;hydrochloride

N'-(2-methylpropyl)pyrazole-1-carboximidamide;hydrochloride (PubChem CID 45261144) has the molecular formula C8H15ClN4 and a molecular weight of 202.69 g/mol. Its IUPAC name is N'-(2-methylpropyl)pyrazole-1-carboximidamide;hydrochloride.

Molecular Properties

Compound NameN'-(2-methylpropyl)pyrazole-1-carboximidamide;hydrochloride
PubChem CID45261144
Molecular FormulaC8H15ClN4
Molecular Weight202.69 g/mol
Exact Mass202.10
IUPAC NameN'-(2-methylpropyl)pyrazole-1-carboximidamide;hydrochloride
SMILESCC(C)C/N=C(\N)n1cccn1.Cl
InChIInChI=1S/C8H14N4.ClH/c1-7(2)6-10-8(9)12-5-3-4-11-12;/h3-5,7H,6H2,1-2H3,(H2,9,10);1H
InChIKeyABCDEHOKPFYOCY-UHFFFAOYSA-N
XLogP1.12
TPSA56.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.69
LogP ≤ 51.12
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

N'-pentylpyrazole-1-carboximidamide;hydrochloride
CID 45261131
N'-chloropyrazole-1-carboximidamide
CID 74767935
N'-cyanopyrazole-1-carboximidamide
CID 102043998
methyl N-[amino(pyrazol-1-yl)methylidene]carbamate
CID 72641374
2-amino-1-pyrazol-1-ylpropan-1-one
CID 76503480
pyrazole-1-carbothioamide
CID 1480595
N'-(2-methyl-3-pyrazol-1-ylpropyl)piperidine-1-carboximidamide;hydroiodide
CID 111070597
N'-(2-methyl-3-pyrazol-1-ylpropyl)azepane-1-carboximidamide;hydroiodide
CID 86779281
N-methyl-1-pyrazol-1-ylpropan-1-imine
CID 157387704
N-(1-aminopropylidene)pyrazole-1-carboximidamide
CID 102368487
3-methyl-N'-(2-methylpropyl)pyridine-2-carboximidamide
CID 63181666
[(diaminomethylideneamino)-pyrazol-1-ylmethylidene]azanium;chloride;hydrate
CID 139127315

Frequently Asked Questions

What is the IUPAC name of N'-(2-methylpropyl)pyrazole-1-carboximidamide;hydrochloride?
The IUPAC name of N'-(2-methylpropyl)pyrazole-1-carboximidamide;hydrochloride (CID 45261144) is N'-(2-methylpropyl)pyrazole-1-carboximidamide;hydrochloride.
What is the SMILES notation for N'-(2-methylpropyl)pyrazole-1-carboximidamide;hydrochloride?
The canonical SMILES for N'-(2-methylpropyl)pyrazole-1-carboximidamide;hydrochloride is CC(C)C/N=C(\N)n1cccn1.Cl.
What is the InChIKey of N'-(2-methylpropyl)pyrazole-1-carboximidamide;hydrochloride?
The InChIKey is ABCDEHOKPFYOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4.ClH/c1-7(2)6-10-8(9)12-5-3-4-11-12;/h3-5,7H,6H2,1-2H3,(H2,9,10);1H.
What are the key properties of N'-(2-methylpropyl)pyrazole-1-carboximidamide;hydrochloride?
N'-(2-methylpropyl)pyrazole-1-carboximidamide;hydrochloride has a molecular weight of 202.69 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylpropyl)pyrazole-1-carboximidamide;hydrochloride is sourced from PubChem (CID 45261144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).