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

C7H13N5 — CID 130496867

IUPAC1-(1,5-dimethylpyrazol-3-yl)-2-methylguanidine
SMILESC/N=C(\N)Nc1cc(C)n(C)n1
InChIInChI=1S/C7H13N5/c1-5-4-6(11-12(5)3)10-7(8)9-2/h4H,1-3H3,(H3,8,9,10,11)
InChIKeyRJPCDPLXSWUNCD-UHFFFAOYSA-N
MW167.22 g/mol
LogP0.08
Rot. Bonds1

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

1-(1,5-dimethylpyrazol-3-yl)-2-methylguanidine (PubChem CID 130496867) has the molecular formula C7H13N5 and a molecular weight of 167.22 g/mol. Its IUPAC name is 1-(1,5-dimethylpyrazol-3-yl)-2-methylguanidine.

Molecular Properties

Compound Name1-(1,5-dimethylpyrazol-3-yl)-2-methylguanidine
PubChem CID130496867
Molecular FormulaC7H13N5
Molecular Weight167.22 g/mol
Exact Mass167.12
IUPAC Name1-(1,5-dimethylpyrazol-3-yl)-2-methylguanidine
SMILESC/N=C(\N)Nc1cc(C)n(C)n1
InChIInChI=1S/C7H13N5/c1-5-4-6(11-12(5)3)10-7(8)9-2/h4H,1-3H3,(H3,8,9,10,11)
InChIKeyRJPCDPLXSWUNCD-UHFFFAOYSA-N
XLogP0.08
TPSA68.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.22
LogP ≤ 50.08
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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Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethylpyrazol-3-yl)-2-methylguanidine?
The IUPAC name of 1-(1,5-dimethylpyrazol-3-yl)-2-methylguanidine (CID 130496867) is 1-(1,5-dimethylpyrazol-3-yl)-2-methylguanidine.
What is the SMILES notation for 1-(1,5-dimethylpyrazol-3-yl)-2-methylguanidine?
The canonical SMILES for 1-(1,5-dimethylpyrazol-3-yl)-2-methylguanidine is C/N=C(\N)Nc1cc(C)n(C)n1.
What is the InChIKey of 1-(1,5-dimethylpyrazol-3-yl)-2-methylguanidine?
The InChIKey is RJPCDPLXSWUNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5/c1-5-4-6(11-12(5)3)10-7(8)9-2/h4H,1-3H3,(H3,8,9,10,11).
What are the key properties of 1-(1,5-dimethylpyrazol-3-yl)-2-methylguanidine?
1-(1,5-dimethylpyrazol-3-yl)-2-methylguanidine has a molecular weight of 167.22 g/mol, XLogP of 0.08, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethylpyrazol-3-yl)-2-methylguanidine is sourced from PubChem (CID 130496867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).