N'-chloropyrazole-1-carboximidamide

C4H5ClN4 — CID 74767935

IUPACN'-chloropyrazole-1-carboximidamide
SMILESN/C(=N\Cl)n1cccn1
InChIInChI=1S/C4H5ClN4/c5-8-4(6)9-3-1-2-7-9/h1-3H,(H2,6,8)
InChIKeyBYYCBZSZDGWDCY-UHFFFAOYSA-N
MW144.57 g/mol
LogP0.20
Rot. Bonds

About N'-chloropyrazole-1-carboximidamide

N'-chloropyrazole-1-carboximidamide (PubChem CID 74767935) has the molecular formula C4H5ClN4 and a molecular weight of 144.57 g/mol. Its IUPAC name is N'-chloropyrazole-1-carboximidamide.

Molecular Properties

Compound NameN'-chloropyrazole-1-carboximidamide
PubChem CID74767935
Molecular FormulaC4H5ClN4
Molecular Weight144.57 g/mol
Exact Mass144.02
IUPAC NameN'-chloropyrazole-1-carboximidamide
SMILESN/C(=N\Cl)n1cccn1
InChIInChI=1S/C4H5ClN4/c5-8-4(6)9-3-1-2-7-9/h1-3H,(H2,6,8)
InChIKeyBYYCBZSZDGWDCY-UHFFFAOYSA-N
XLogP0.20
TPSA56.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.57
LogP ≤ 50.20
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'-chloropyrazole-1-carboximidamide?
The IUPAC name of N'-chloropyrazole-1-carboximidamide (CID 74767935) is N'-chloropyrazole-1-carboximidamide.
What is the SMILES notation for N'-chloropyrazole-1-carboximidamide?
The canonical SMILES for N'-chloropyrazole-1-carboximidamide is N/C(=N\Cl)n1cccn1.
What is the InChIKey of N'-chloropyrazole-1-carboximidamide?
The InChIKey is BYYCBZSZDGWDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5ClN4/c5-8-4(6)9-3-1-2-7-9/h1-3H,(H2,6,8).
What are the key properties of N'-chloropyrazole-1-carboximidamide?
N'-chloropyrazole-1-carboximidamide has a molecular weight of 144.57 g/mol, XLogP of 0.20, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-chloropyrazole-1-carboximidamide is sourced from PubChem (CID 74767935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).