2-(3,5-dimethylpyrazol-1-yl)guanidine

C6H11N5 — CID 6453090

IUPAC2-(3,5-dimethylpyrazol-1-yl)guanidine
SMILESCc1cc(C)n(N=C(N)N)n1
InChIInChI=1S/C6H11N5/c1-4-3-5(2)11(9-4)10-6(7)8/h3H,1-2H3,(H4,7,8,10)
InChIKeyATRCEYNJCBJGAZ-UHFFFAOYSA-N
MW153.19 g/mol
LogP-0.46
Rot. Bonds1

About 2-(3,5-dimethylpyrazol-1-yl)guanidine

2-(3,5-dimethylpyrazol-1-yl)guanidine (PubChem CID 6453090) has the molecular formula C6H11N5 and a molecular weight of 153.19 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)guanidine.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)guanidine
PubChem CID6453090
Molecular FormulaC6H11N5
Molecular Weight153.19 g/mol
Exact Mass153.10
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)guanidine
SMILESCc1cc(C)n(N=C(N)N)n1
InChIInChI=1S/C6H11N5/c1-4-3-5(2)11(9-4)10-6(7)8/h3H,1-2H3,(H4,7,8,10)
InChIKeyATRCEYNJCBJGAZ-UHFFFAOYSA-N
XLogP-0.46
TPSA82.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 5-0.46
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 2-(3,5-dimethylpyrazol-1-yl)guanidine?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)guanidine (CID 6453090) is 2-(3,5-dimethylpyrazol-1-yl)guanidine.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)guanidine?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)guanidine is Cc1cc(C)n(N=C(N)N)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)guanidine?
The InChIKey is ATRCEYNJCBJGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5/c1-4-3-5(2)11(9-4)10-6(7)8/h3H,1-2H3,(H4,7,8,10).
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)guanidine?
2-(3,5-dimethylpyrazol-1-yl)guanidine has a molecular weight of 153.19 g/mol, XLogP of -0.46, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)guanidine is sourced from PubChem (CID 6453090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).