N'-cyanopyrazole-1-carboximidamide

C5H5N5 — CID 102043998

IUPACN'-cyanopyrazole-1-carboximidamide
SMILESN#C/N=C(\N)n1cccn1
InChIInChI=1S/C5H5N5/c6-4-8-5(7)10-3-1-2-9-10/h1-3H,(H2,7,8)
InChIKeyAEZMULLNGFOGHM-UHFFFAOYSA-N
MW135.13 g/mol
LogP-0.47
Rot. Bonds

About N'-cyanopyrazole-1-carboximidamide

N'-cyanopyrazole-1-carboximidamide (PubChem CID 102043998) has the molecular formula C5H5N5 and a molecular weight of 135.13 g/mol. Its IUPAC name is N'-cyanopyrazole-1-carboximidamide.

Molecular Properties

Compound NameN'-cyanopyrazole-1-carboximidamide
PubChem CID102043998
Molecular FormulaC5H5N5
Molecular Weight135.13 g/mol
Exact Mass135.05
IUPAC NameN'-cyanopyrazole-1-carboximidamide
SMILESN#C/N=C(\N)n1cccn1
InChIInChI=1S/C5H5N5/c6-4-8-5(7)10-3-1-2-9-10/h1-3H,(H2,7,8)
InChIKeyAEZMULLNGFOGHM-UHFFFAOYSA-N
XLogP-0.47
TPSA79.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.13
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-chloropyrazole-1-carboximidamide
CID 74767935
pyrazole-1-carbothioamide
CID 1480595
[(diaminomethylideneamino)-pyrazol-1-ylmethylidene]azanium;chloride;hydrate
CID 139127315
N'-(2-methylpropyl)pyrazole-1-carboximidamide;hydrochloride
CID 45261144
methyl N-[amino(pyrazol-1-yl)methylidene]carbamate
CID 72641374
N'-cyano-2-ethenylimidazole-1-carboximidamide
CID 87582723
N'-pentylpyrazole-1-carboximidamide;hydrochloride
CID 45261131
N'-[N'-(4-chlorophenyl)carbamimidoyl]pyrazole-1-carboximidamide
CID 131747485
azane;2-cyanoguanidine
CID 21470607
CID 87768298
CID 87768298
N-methyl-1-pyrazol-1-ylpropan-1-imine
CID 157387704
2-amino-1-pyrazol-1-ylpropan-1-one
CID 76503480

Frequently Asked Questions

What is the IUPAC name of N'-cyanopyrazole-1-carboximidamide?
The IUPAC name of N'-cyanopyrazole-1-carboximidamide (CID 102043998) is N'-cyanopyrazole-1-carboximidamide.
What is the SMILES notation for N'-cyanopyrazole-1-carboximidamide?
The canonical SMILES for N'-cyanopyrazole-1-carboximidamide is N#C/N=C(\N)n1cccn1.
What is the InChIKey of N'-cyanopyrazole-1-carboximidamide?
The InChIKey is AEZMULLNGFOGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N5/c6-4-8-5(7)10-3-1-2-9-10/h1-3H,(H2,7,8).
What are the key properties of N'-cyanopyrazole-1-carboximidamide?
N'-cyanopyrazole-1-carboximidamide has a molecular weight of 135.13 g/mol, XLogP of -0.47, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyanopyrazole-1-carboximidamide is sourced from PubChem (CID 102043998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).