1-ethyl-3-[(2-methylpyrazol-3-yl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]guanidine

C15H22N6 — CID 111955259

IUPAC1-ethyl-3-[(2-methylpyrazol-3-yl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]guanidine
SMILESCCN/C(=N\Cc1cccc(C)n1)NCc1ccnn1C
InChIInChI=1S/C15H22N6/c1-4-16-15(18-11-14-8-9-19-21(14)3)17-10-13-7-5-6-12(2)20-13/h5-9H,4,10-11H2,1-3H3,(H2,16,17,18)
InChIKeyHGFYNACTYRCWIV-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.38
Rot. Bonds5

About 1-ethyl-3-[(2-methylpyrazol-3-yl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]guanidine

1-ethyl-3-[(2-methylpyrazol-3-yl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]guanidine (PubChem CID 111955259) has the molecular formula C15H22N6 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-ethyl-3-[(2-methylpyrazol-3-yl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]guanidine.

Molecular Properties

Compound Name1-ethyl-3-[(2-methylpyrazol-3-yl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]guanidine
PubChem CID111955259
Molecular FormulaC15H22N6
Molecular Weight286.38 g/mol
Exact Mass286.19
IUPAC Name1-ethyl-3-[(2-methylpyrazol-3-yl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]guanidine
SMILESCCN/C(=N\Cc1cccc(C)n1)NCc1ccnn1C
InChIInChI=1S/C15H22N6/c1-4-16-15(18-11-14-8-9-19-21(14)3)17-10-13-7-5-6-12(2)20-13/h5-9H,4,10-11H2,1-3H3,(H2,16,17,18)
InChIKeyHGFYNACTYRCWIV-UHFFFAOYSA-N
XLogP1.38
TPSA67.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

1-ethyl-2,3-bis[(2-methylpyrazol-3-yl)methyl]guanidine
CID 111953417
2-benzyl-1-ethyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine;hydroiodide
CID 110953727
1-ethyl-2-[(6-methyl-2-pyridinyl)methyl]-3-(3-pyrazol-1-ylpropyl)guanidine
CID 111906373
2-[(2-chlorophenyl)methyl]-1-ethyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine
CID 111173902
1-ethyl-3-[(2-methylpyrazol-3-yl)methyl]-2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]guanidine;hydroiodide
CID 111954766
1-ethyl-3-[(6-methyl-2-pyridinyl)methyl]-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111849694
1-ethyl-3-[(6-methyl-2-pyridinyl)methyl]-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine
CID 111849695
1-ethyl-2-[(3-fluoro-4-methylphenyl)methyl]-3-[(2-methylpyrazol-3-yl)methyl]guanidine
CID 111846809
1-ethyl-2-(1H-indol-2-ylmethyl)-3-[(2-methylpyrazol-3-yl)methyl]guanidine;hydroiodide
CID 111954576
1-ethyl-2-[(6-methyl-2-pyridinyl)methyl]-3-(2-piperidin-1-ylethyl)guanidine
CID 111416937
1-ethyl-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-[(2-methylpyrazol-3-yl)methyl]guanidine
CID 111955701
1-ethyl-3-[(2-methylpyrazol-3-yl)methyl]-2-[(4-methylsulfonylphenyl)methyl]guanidine
CID 111954905

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(2-methylpyrazol-3-yl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]guanidine?
The IUPAC name of 1-ethyl-3-[(2-methylpyrazol-3-yl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]guanidine (CID 111955259) is 1-ethyl-3-[(2-methylpyrazol-3-yl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]guanidine.
What is the SMILES notation for 1-ethyl-3-[(2-methylpyrazol-3-yl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]guanidine?
The canonical SMILES for 1-ethyl-3-[(2-methylpyrazol-3-yl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]guanidine is CCN/C(=N\Cc1cccc(C)n1)NCc1ccnn1C.
What is the InChIKey of 1-ethyl-3-[(2-methylpyrazol-3-yl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]guanidine?
The InChIKey is HGFYNACTYRCWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6/c1-4-16-15(18-11-14-8-9-19-21(14)3)17-10-13-7-5-6-12(2)20-13/h5-9H,4,10-11H2,1-3H3,(H2,16,17,18).
What are the key properties of 1-ethyl-3-[(2-methylpyrazol-3-yl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]guanidine?
1-ethyl-3-[(2-methylpyrazol-3-yl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]guanidine has a molecular weight of 286.38 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(2-methylpyrazol-3-yl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]guanidine is sourced from PubChem (CID 111955259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).