2-pyrazol-1-ylbenzenecarboximidamide;hydrochloride

C10H11ClN4 — CID 82240525

IUPAC2-pyrazol-1-ylbenzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccccc1-n1cccn1
InChIInChI=1S/C10H10N4.ClH/c11-10(12)8-4-1-2-5-9(8)14-7-3-6-13-14;/h1-7H,(H3,11,12);1H
InChIKeyVVKBCNGCOLHVLQ-UHFFFAOYSA-N
MW222.68 g/mol
LogP1.58
Rot. Bonds2

About 2-pyrazol-1-ylbenzenecarboximidamide;hydrochloride

2-pyrazol-1-ylbenzenecarboximidamide;hydrochloride (PubChem CID 82240525) has the molecular formula C10H11ClN4 and a molecular weight of 222.68 g/mol. Its IUPAC name is 2-pyrazol-1-ylbenzenecarboximidamide;hydrochloride.

Molecular Properties

Compound Name2-pyrazol-1-ylbenzenecarboximidamide;hydrochloride
PubChem CID82240525
Molecular FormulaC10H11ClN4
Molecular Weight222.68 g/mol
Exact Mass222.07
IUPAC Name2-pyrazol-1-ylbenzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccccc1-n1cccn1
InChIInChI=1S/C10H10N4.ClH/c11-10(12)8-4-1-2-5-9(8)14-7-3-6-13-14;/h1-7H,(H3,11,12);1H
InChIKeyVVKBCNGCOLHVLQ-UHFFFAOYSA-N
XLogP1.58
TPSA67.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 51.58
H-Bond Donors ≤ 52
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

2-(4-methylpyrazol-1-yl)benzenecarboximidamide
CID 60873112
2-methoxy-4-pyrazol-1-ylbenzenecarboximidamide
CID 126822232
3-pyrazol-1-ylpyrazine-2-carboximidamide
CID 62685760
2-(azocan-1-yl)benzenecarboximidamide
CID 28801457
2-chloro-3-pyrazol-1-ylbenzamide
CID 57422970
(1R)-2-amino-1-(2-pyrazol-1-ylphenyl)ethanol
CID 96762406
2,4-dichloro-5-pyrazol-1-ylbenzamide
CID 57422974
2-(trifluoromethoxy)benzenecarboximidamide;hydrochloride
CID 21250688
N-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]hydroxylamine
CID 82608522
(1R,2S,5S)-3-(2-pyrazol-1-ylbenzoyl)-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 57489362
2-(trifluoromethyl)benzenecarboximidamide;hydrochloride
CID 42614308
2-(2,6-dimethylmorpholin-4-yl)benzenecarboximidamide
CID 43199936

Frequently Asked Questions

What is the IUPAC name of 2-pyrazol-1-ylbenzenecarboximidamide;hydrochloride?
The IUPAC name of 2-pyrazol-1-ylbenzenecarboximidamide;hydrochloride (CID 82240525) is 2-pyrazol-1-ylbenzenecarboximidamide;hydrochloride.
What is the SMILES notation for 2-pyrazol-1-ylbenzenecarboximidamide;hydrochloride?
The canonical SMILES for 2-pyrazol-1-ylbenzenecarboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1ccccc1-n1cccn1.
What is the InChIKey of 2-pyrazol-1-ylbenzenecarboximidamide;hydrochloride?
The InChIKey is VVKBCNGCOLHVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4.ClH/c11-10(12)8-4-1-2-5-9(8)14-7-3-6-13-14;/h1-7H,(H3,11,12);1H.
What are the key properties of 2-pyrazol-1-ylbenzenecarboximidamide;hydrochloride?
2-pyrazol-1-ylbenzenecarboximidamide;hydrochloride has a molecular weight of 222.68 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazol-1-ylbenzenecarboximidamide;hydrochloride is sourced from PubChem (CID 82240525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).