2-methyl-1-[(2-methylpyrazol-3-yl)methyl]-3-propylguanidine

C10H19N5 — CID 111226466

IUPAC2-methyl-1-[(2-methylpyrazol-3-yl)methyl]-3-propylguanidine
SMILESCCCN/C(=N\C)NCc1ccnn1C
InChIInChI=1S/C10H19N5/c1-4-6-12-10(11-2)13-8-9-5-7-14-15(9)3/h5,7H,4,6,8H2,1-3H3,(H2,11,12,13)
InChIKeyGZSRAGMHUSXKJS-UHFFFAOYSA-N
MW209.30 g/mol
LogP0.50
Rot. Bonds4

About 2-methyl-1-[(2-methylpyrazol-3-yl)methyl]-3-propylguanidine

2-methyl-1-[(2-methylpyrazol-3-yl)methyl]-3-propylguanidine (PubChem CID 111226466) has the molecular formula C10H19N5 and a molecular weight of 209.30 g/mol. Its IUPAC name is 2-methyl-1-[(2-methylpyrazol-3-yl)methyl]-3-propylguanidine.

Molecular Properties

Compound Name2-methyl-1-[(2-methylpyrazol-3-yl)methyl]-3-propylguanidine
PubChem CID111226466
Molecular FormulaC10H19N5
Molecular Weight209.30 g/mol
Exact Mass209.16
IUPAC Name2-methyl-1-[(2-methylpyrazol-3-yl)methyl]-3-propylguanidine
SMILESCCCN/C(=N\C)NCc1ccnn1C
InChIInChI=1S/C10H19N5/c1-4-6-12-10(11-2)13-8-9-5-7-14-15(9)3/h5,7H,4,6,8H2,1-3H3,(H2,11,12,13)
InChIKeyGZSRAGMHUSXKJS-UHFFFAOYSA-N
XLogP0.50
TPSA54.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.30
LogP ≤ 50.50
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

2-methyl-1-[(2-methylpyrazol-3-yl)methyl]-3-pentylguanidine
CID 111129525
3-[[N'-methyl-N-[(2-methylpyrazol-3-yl)methyl]carbamimidoyl]amino]-N-propylpropanamide;hydroiodide
CID 111956118
1-(2-cyclopropylethyl)-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine
CID 111604969
1-[3-(ethylsulfonylamino)propyl]-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine
CID 111954261
1-(2-imidazol-1-ylethyl)-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine
CID 111953407
2-methyl-1-[(2-methylpyrazol-3-yl)methyl]-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111416838
1-[2-(azepan-1-yl)ethyl]-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine;hydroiodide
CID 111956312
1-[2-(diethylamino)propyl]-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine
CID 111953511
1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine;hydroiodide
CID 111956464
1-[(4-chlorophenyl)methyl]-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine;hydroiodide
CID 111131653
1-(3-imidazol-1-ylpropyl)-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine;hydroiodide
CID 111953898
2-methyl-1-[2-(4-methylphenyl)sulfanylethyl]-3-[(2-methylpyrazol-3-yl)methyl]guanidine;hydroiodide
CID 111375821

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(2-methylpyrazol-3-yl)methyl]-3-propylguanidine?
The IUPAC name of 2-methyl-1-[(2-methylpyrazol-3-yl)methyl]-3-propylguanidine (CID 111226466) is 2-methyl-1-[(2-methylpyrazol-3-yl)methyl]-3-propylguanidine.
What is the SMILES notation for 2-methyl-1-[(2-methylpyrazol-3-yl)methyl]-3-propylguanidine?
The canonical SMILES for 2-methyl-1-[(2-methylpyrazol-3-yl)methyl]-3-propylguanidine is CCCN/C(=N\C)NCc1ccnn1C.
What is the InChIKey of 2-methyl-1-[(2-methylpyrazol-3-yl)methyl]-3-propylguanidine?
The InChIKey is GZSRAGMHUSXKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5/c1-4-6-12-10(11-2)13-8-9-5-7-14-15(9)3/h5,7H,4,6,8H2,1-3H3,(H2,11,12,13).
What are the key properties of 2-methyl-1-[(2-methylpyrazol-3-yl)methyl]-3-propylguanidine?
2-methyl-1-[(2-methylpyrazol-3-yl)methyl]-3-propylguanidine has a molecular weight of 209.30 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(2-methylpyrazol-3-yl)methyl]-3-propylguanidine is sourced from PubChem (CID 111226466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).