N'-amino-2-methylpyrazole-3-carboximidamide;hydrochloride

C5H10ClN5 — CID 139228372

IUPACN'-amino-2-methylpyrazole-3-carboximidamide;hydrochloride
SMILESCl.Cn1nccc1/C(N)=N\N
InChIInChI=1S/C5H9N5.ClH/c1-10-4(2-3-8-10)5(6)9-7;/h2-3H,7H2,1H3,(H2,6,9);1H
InChIKeyKWDLGTCAPZVZIQ-UHFFFAOYSA-N
MW175.62 g/mol
LogP-0.58
Rot. Bonds1

About N'-amino-2-methylpyrazole-3-carboximidamide;hydrochloride

N'-amino-2-methylpyrazole-3-carboximidamide;hydrochloride (PubChem CID 139228372) has the molecular formula C5H10ClN5 and a molecular weight of 175.62 g/mol. Its IUPAC name is N'-amino-2-methylpyrazole-3-carboximidamide;hydrochloride.

Molecular Properties

Compound NameN'-amino-2-methylpyrazole-3-carboximidamide;hydrochloride
PubChem CID139228372
Molecular FormulaC5H10ClN5
Molecular Weight175.62 g/mol
Exact Mass175.06
IUPAC NameN'-amino-2-methylpyrazole-3-carboximidamide;hydrochloride
SMILESCl.Cn1nccc1/C(N)=N\N
InChIInChI=1S/C5H9N5.ClH/c1-10-4(2-3-8-10)5(6)9-7;/h2-3H,7H2,1H3,(H2,6,9);1H
InChIKeyKWDLGTCAPZVZIQ-UHFFFAOYSA-N
XLogP-0.58
TPSA82.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.62
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-amino-2-methylpyrazole-3-carboximidamide;hydrochloride?
The IUPAC name of N'-amino-2-methylpyrazole-3-carboximidamide;hydrochloride (CID 139228372) is N'-amino-2-methylpyrazole-3-carboximidamide;hydrochloride.
What is the SMILES notation for N'-amino-2-methylpyrazole-3-carboximidamide;hydrochloride?
The canonical SMILES for N'-amino-2-methylpyrazole-3-carboximidamide;hydrochloride is Cl.Cn1nccc1/C(N)=N\N.
What is the InChIKey of N'-amino-2-methylpyrazole-3-carboximidamide;hydrochloride?
The InChIKey is KWDLGTCAPZVZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N5.ClH/c1-10-4(2-3-8-10)5(6)9-7;/h2-3H,7H2,1H3,(H2,6,9);1H.
What are the key properties of N'-amino-2-methylpyrazole-3-carboximidamide;hydrochloride?
N'-amino-2-methylpyrazole-3-carboximidamide;hydrochloride has a molecular weight of 175.62 g/mol, XLogP of -0.58, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-2-methylpyrazole-3-carboximidamide;hydrochloride is sourced from PubChem (CID 139228372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).