pyrazol-1-ylmethanediamine;hydrochloride

C4H9ClN4 — CID 55285438

IUPACpyrazol-1-ylmethanediamine;hydrochloride
SMILESCl.NC(N)n1cccn1
InChIInChI=1S/C4H8N4.ClH/c5-4(6)8-3-1-2-7-8;/h1-4H,5-6H2;1H
InChIKeyJPUPRRMOQKWDMI-UHFFFAOYSA-N
MW148.60 g/mol
LogP-0.32
Rot. Bonds1

About pyrazol-1-ylmethanediamine;hydrochloride

pyrazol-1-ylmethanediamine;hydrochloride (PubChem CID 55285438) has the molecular formula C4H9ClN4 and a molecular weight of 148.60 g/mol. Its IUPAC name is pyrazol-1-ylmethanediamine;hydrochloride.

Molecular Properties

Compound Namepyrazol-1-ylmethanediamine;hydrochloride
PubChem CID55285438
Molecular FormulaC4H9ClN4
Molecular Weight148.60 g/mol
Exact Mass148.05
IUPAC Namepyrazol-1-ylmethanediamine;hydrochloride
SMILESCl.NC(N)n1cccn1
InChIInChI=1S/C4H8N4.ClH/c5-4(6)8-3-1-2-7-8;/h1-4H,5-6H2;1H
InChIKeyJPUPRRMOQKWDMI-UHFFFAOYSA-N
XLogP-0.32
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.60
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Pyrazole-1-carboxamidine monohydrochloride
CID 2734672
Praxadine
CID 2734673
1-(prop-2-en-1-yl)-1H-pyrazole
CID 3489293
2-(1H-pyrazol-1-yl)ethan-1-amine
CID 1133022
1-ethenyl-1H-pyrazole
CID 6420997
N-Propyl-pyrazole-1-carboxamidine; hydrochloride
CID 44326871
N'-propylpyrazole-1-carboximidamide;hydrochloride
CID 45264946
1H-Pyrazole-1-carboxamide
CID 235303
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'-(cyclopropylmethyl)pyrazole-1-carboximidamide;hydrochloride
CID 45261176

Frequently Asked Questions

What is the IUPAC name of pyrazol-1-ylmethanediamine;hydrochloride?
The IUPAC name of pyrazol-1-ylmethanediamine;hydrochloride (CID 55285438) is pyrazol-1-ylmethanediamine;hydrochloride.
What is the SMILES notation for pyrazol-1-ylmethanediamine;hydrochloride?
The canonical SMILES for pyrazol-1-ylmethanediamine;hydrochloride is Cl.NC(N)n1cccn1.
What is the InChIKey of pyrazol-1-ylmethanediamine;hydrochloride?
The InChIKey is JPUPRRMOQKWDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4.ClH/c5-4(6)8-3-1-2-7-8;/h1-4H,5-6H2;1H.
What are the key properties of pyrazol-1-ylmethanediamine;hydrochloride?
pyrazol-1-ylmethanediamine;hydrochloride has a molecular weight of 148.60 g/mol, XLogP of -0.32, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazol-1-ylmethanediamine;hydrochloride is sourced from PubChem (CID 55285438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).