2-pyrazol-1-ylguanidine

C4H7N5 — CID 19108548

IUPAC2-pyrazol-1-ylguanidine
SMILESNC(N)=Nn1cccn1
InChIInChI=1S/C4H7N5/c5-4(6)8-9-3-1-2-7-9/h1-3H,(H4,5,6,8)
InChIKeySNBIKXUTMUAKCJ-UHFFFAOYSA-N
MW125.13 g/mol
LogP-1.08
Rot. Bonds1

About 2-pyrazol-1-ylguanidine

2-pyrazol-1-ylguanidine (PubChem CID 19108548) has the molecular formula C4H7N5 and a molecular weight of 125.13 g/mol. Its IUPAC name is 2-pyrazol-1-ylguanidine.

Molecular Properties

Compound Name2-pyrazol-1-ylguanidine
PubChem CID19108548
Molecular FormulaC4H7N5
Molecular Weight125.13 g/mol
Exact Mass125.07
IUPAC Name2-pyrazol-1-ylguanidine
SMILESNC(N)=Nn1cccn1
InChIInChI=1S/C4H7N5/c5-4(6)8-9-3-1-2-7-9/h1-3H,(H4,5,6,8)
InChIKeySNBIKXUTMUAKCJ-UHFFFAOYSA-N
XLogP-1.08
TPSA82.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 5-1.08
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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Related Compounds

1H-pyrazol-1-amine
CID 11829352
1-(Tributylstannyl)-1H-pyrazole
CID 305933
Pyrazol-1-ide
CID 5460486
1h-pyrazole, sodium salt
CID 12107527
N-fluoropyrazole
CID 18614771
CID 5383984
CID 5383984
Pyrazol-1-ylborane
CID 11094917
Potassium pyrazolide
CID 13446360
1H-Pyrazole-1,5-diamine
CID 13545547
Diazole-2,5-diamine
CID 13545549
Silver pyrazol-1-ide
CID 13697286
Lithium pyrazolide
CID 15148462

Frequently Asked Questions

What is the IUPAC name of 2-pyrazol-1-ylguanidine?
The IUPAC name of 2-pyrazol-1-ylguanidine (CID 19108548) is 2-pyrazol-1-ylguanidine.
What is the SMILES notation for 2-pyrazol-1-ylguanidine?
The canonical SMILES for 2-pyrazol-1-ylguanidine is NC(N)=Nn1cccn1.
What is the InChIKey of 2-pyrazol-1-ylguanidine?
The InChIKey is SNBIKXUTMUAKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N5/c5-4(6)8-9-3-1-2-7-9/h1-3H,(H4,5,6,8).
What are the key properties of 2-pyrazol-1-ylguanidine?
2-pyrazol-1-ylguanidine has a molecular weight of 125.13 g/mol, XLogP of -1.08, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazol-1-ylguanidine is sourced from PubChem (CID 19108548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).