1-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methylguanidine

C8H15N5 — CID 112670222

IUPAC1-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methylguanidine
SMILESC/N=C(\N)NCc1cn(C)nc1C
InChIInChI=1S/C8H15N5/c1-6-7(5-13(3)12-6)4-11-8(9)10-2/h5H,4H2,1-3H3,(H3,9,10,11)
InChIKeyKGCLHPXWUBDAOW-UHFFFAOYSA-N
MW181.24 g/mol
LogP-0.24
Rot. Bonds2

About 1-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methylguanidine

1-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methylguanidine (PubChem CID 112670222) has the molecular formula C8H15N5 and a molecular weight of 181.24 g/mol. Its IUPAC name is 1-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methylguanidine.

Molecular Properties

Compound Name1-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methylguanidine
PubChem CID112670222
Molecular FormulaC8H15N5
Molecular Weight181.24 g/mol
Exact Mass181.13
IUPAC Name1-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methylguanidine
SMILESC/N=C(\N)NCc1cn(C)nc1C
InChIInChI=1S/C8H15N5/c1-6-7(5-13(3)12-6)4-11-8(9)10-2/h5H,4H2,1-3H3,(H3,9,10,11)
InChIKeyKGCLHPXWUBDAOW-UHFFFAOYSA-N
XLogP-0.24
TPSA68.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 5-0.24
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-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methylguanidine?
The IUPAC name of 1-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methylguanidine (CID 112670222) is 1-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methylguanidine.
What is the SMILES notation for 1-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methylguanidine?
The canonical SMILES for 1-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methylguanidine is C/N=C(\N)NCc1cn(C)nc1C.
What is the InChIKey of 1-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methylguanidine?
The InChIKey is KGCLHPXWUBDAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5/c1-6-7(5-13(3)12-6)4-11-8(9)10-2/h5H,4H2,1-3H3,(H3,9,10,11).
What are the key properties of 1-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methylguanidine?
1-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methylguanidine has a molecular weight of 181.24 g/mol, XLogP of -0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methylguanidine is sourced from PubChem (CID 112670222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).