1,2-dimethyl-1-[(4-methylphenyl)methyl]-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine

C20H24N6 — CID 111289719

IUPAC1,2-dimethyl-1-[(4-methylphenyl)methyl]-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine
SMILESC/N=C(/NCc1ccnc(-n2cccn2)c1)N(C)Cc1ccc(C)cc1
InChIInChI=1S/C20H24N6/c1-16-5-7-17(8-6-16)15-25(3)20(21-2)23-14-18-9-11-22-19(13-18)26-12-4-10-24-26/h4-13H,14-15H2,1-3H3,(H,21,23)
InChIKeyHFHRQGBYOHAZTF-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.78
Rot. Bonds5

About 1,2-dimethyl-1-[(4-methylphenyl)methyl]-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine

1,2-dimethyl-1-[(4-methylphenyl)methyl]-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine (PubChem CID 111289719) has the molecular formula C20H24N6 and a molecular weight of 348.45 g/mol. Its IUPAC name is 1,2-dimethyl-1-[(4-methylphenyl)methyl]-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine.

Molecular Properties

Compound Name1,2-dimethyl-1-[(4-methylphenyl)methyl]-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine
PubChem CID111289719
Molecular FormulaC20H24N6
Molecular Weight348.45 g/mol
Exact Mass348.21
IUPAC Name1,2-dimethyl-1-[(4-methylphenyl)methyl]-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine
SMILESC/N=C(/NCc1ccnc(-n2cccn2)c1)N(C)Cc1ccc(C)cc1
InChIInChI=1S/C20H24N6/c1-16-5-7-17(8-6-16)15-25(3)20(21-2)23-14-18-9-11-22-19(13-18)26-12-4-10-24-26/h4-13H,14-15H2,1-3H3,(H,21,23)
InChIKeyHFHRQGBYOHAZTF-UHFFFAOYSA-N
XLogP2.78
TPSA58.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.78
H-Bond Donors ≤ 51
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-[(4-ethoxyphenyl)methyl]-1,2-dimethyl-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide
CID 111275452
1,2-dimethyl-1-pent-4-enyl-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine
CID 109497928
1,2-dimethyl-1-(oxolan-3-ylmethyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine
CID 109383300
1-[2-(4-chlorophenoxy)ethyl]-1,2-dimethyl-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide
CID 111308499
3-[(2-methoxy-4-pyridinyl)methyl]-1,2-dimethyl-1-[(4-methylphenyl)methyl]guanidine;hydroiodide
CID 111289816
1-[(4-bromophenyl)methyl]-1,2-dimethyl-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]guanidine
CID 111293419
1-[(4-methoxyphenyl)methyl]-2-methyl-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine
CID 111182113
1-[(4-ethoxyphenyl)methyl]-1,2-dimethyl-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide
CID 111275672
2-methyl-1-(3-methylbutan-2-yl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine
CID 111000331
1-(furan-2-ylmethyl)-2-methyl-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide
CID 56801268
1,2-dimethyl-1-[(4-methylphenyl)methyl]-3-[(2-methylpyrazol-3-yl)methyl]guanidine;hydroiodide
CID 111289268
3-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-1-[(4-methoxyphenyl)methyl]-1,2-dimethylguanidine;hydroiodide
CID 111272286

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-1-[(4-methylphenyl)methyl]-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine?
The IUPAC name of 1,2-dimethyl-1-[(4-methylphenyl)methyl]-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine (CID 111289719) is 1,2-dimethyl-1-[(4-methylphenyl)methyl]-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine.
What is the SMILES notation for 1,2-dimethyl-1-[(4-methylphenyl)methyl]-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine?
The canonical SMILES for 1,2-dimethyl-1-[(4-methylphenyl)methyl]-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine is C/N=C(/NCc1ccnc(-n2cccn2)c1)N(C)Cc1ccc(C)cc1.
What is the InChIKey of 1,2-dimethyl-1-[(4-methylphenyl)methyl]-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine?
The InChIKey is HFHRQGBYOHAZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6/c1-16-5-7-17(8-6-16)15-25(3)20(21-2)23-14-18-9-11-22-19(13-18)26-12-4-10-24-26/h4-13H,14-15H2,1-3H3,(H,21,23).
What are the key properties of 1,2-dimethyl-1-[(4-methylphenyl)methyl]-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine?
1,2-dimethyl-1-[(4-methylphenyl)methyl]-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine has a molecular weight of 348.45 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-1-[(4-methylphenyl)methyl]-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine is sourced from PubChem (CID 111289719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).