N'-methylpyrazole-1-carboximidamide

C5H8N4 — CID 10953493

IUPACN'-methylpyrazole-1-carboximidamide
SMILESC/N=C(\N)n1cccn1
InChIInChI=1S/C5H8N4/c1-7-5(6)9-4-2-3-8-9/h2-4H,1H3,(H2,6,7)
InChIKeyQQYNNHMXMDLMHU-UHFFFAOYSA-N
MW124.15 g/mol
LogP-0.32
Rot. Bonds

About N'-methylpyrazole-1-carboximidamide

N'-methylpyrazole-1-carboximidamide (PubChem CID 10953493) has the molecular formula C5H8N4 and a molecular weight of 124.15 g/mol. Its IUPAC name is N'-methylpyrazole-1-carboximidamide.

Molecular Properties

Compound NameN'-methylpyrazole-1-carboximidamide
PubChem CID10953493
Molecular FormulaC5H8N4
Molecular Weight124.15 g/mol
Exact Mass124.07
IUPAC NameN'-methylpyrazole-1-carboximidamide
SMILESC/N=C(\N)n1cccn1
InChIInChI=1S/C5H8N4/c1-7-5(6)9-4-2-3-8-9/h2-4H,1H3,(H2,6,7)
InChIKeyQQYNNHMXMDLMHU-UHFFFAOYSA-N
XLogP-0.32
TPSA56.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.15
LogP ≤ 5-0.32
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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Frequently Asked Questions

What is the IUPAC name of N'-methylpyrazole-1-carboximidamide?
The IUPAC name of N'-methylpyrazole-1-carboximidamide (CID 10953493) is N'-methylpyrazole-1-carboximidamide.
What is the SMILES notation for N'-methylpyrazole-1-carboximidamide?
The canonical SMILES for N'-methylpyrazole-1-carboximidamide is C/N=C(\N)n1cccn1.
What is the InChIKey of N'-methylpyrazole-1-carboximidamide?
The InChIKey is QQYNNHMXMDLMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4/c1-7-5(6)9-4-2-3-8-9/h2-4H,1H3,(H2,6,7).
What are the key properties of N'-methylpyrazole-1-carboximidamide?
N'-methylpyrazole-1-carboximidamide has a molecular weight of 124.15 g/mol, XLogP of -0.32, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methylpyrazole-1-carboximidamide is sourced from PubChem (CID 10953493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).