pyrazole-1-carboximidamide

C4H6N4 — CID 2734673

IUPACpyrazole-1-carboximidamide
SMILES[H]/N=C(\N)n1cccn1
InChIInChI=1S/C4H6N4/c5-4(6)8-3-1-2-7-8/h1-3H,(H3,5,6)
InChIKeyUCQFSGCWHRTMGG-UHFFFAOYSA-N
MW110.12 g/mol
LogP-0.38
Rot. Bonds

About pyrazole-1-carboximidamide

pyrazole-1-carboximidamide (PubChem CID 2734673) has the molecular formula C4H6N4 and a molecular weight of 110.12 g/mol. Its IUPAC name is pyrazole-1-carboximidamide.

Molecular Properties

Compound Namepyrazole-1-carboximidamide
PubChem CID2734673
Molecular FormulaC4H6N4
Molecular Weight110.12 g/mol
Exact Mass110.06
IUPAC Namepyrazole-1-carboximidamide
SMILES[H]/N=C(\N)n1cccn1
InChIInChI=1S/C4H6N4/c5-4(6)8-3-1-2-7-8/h1-3H,(H3,5,6)
InChIKeyUCQFSGCWHRTMGG-UHFFFAOYSA-N
XLogP-0.38
TPSA67.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.12
LogP ≤ 5-0.38
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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Frequently Asked Questions

What is the IUPAC name of pyrazole-1-carboximidamide?
The IUPAC name of pyrazole-1-carboximidamide (CID 2734673) is pyrazole-1-carboximidamide.
What is the SMILES notation for pyrazole-1-carboximidamide?
The canonical SMILES for pyrazole-1-carboximidamide is [H]/N=C(\N)n1cccn1.
What is the InChIKey of pyrazole-1-carboximidamide?
The InChIKey is UCQFSGCWHRTMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4/c5-4(6)8-3-1-2-7-8/h1-3H,(H3,5,6).
What are the key properties of pyrazole-1-carboximidamide?
pyrazole-1-carboximidamide has a molecular weight of 110.12 g/mol, XLogP of -0.38, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazole-1-carboximidamide is sourced from PubChem (CID 2734673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).