2-methyl-1-(2-methyl-2-phenylpropyl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine

C19H29N5 — CID 111952893

IUPAC2-methyl-1-(2-methyl-2-phenylpropyl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine
SMILESC/N=C(\NCc1c(C)nn(C)c1C)NCC(C)(C)c1ccccc1
InChIInChI=1S/C19H29N5/c1-14-17(15(2)24(6)23-14)12-21-18(20-5)22-13-19(3,4)16-10-8-7-9-11-16/h7-11H,12-13H2,1-6H3,(H2,20,21,22)
InChIKeyVMQFKHMQXMAMDB-UHFFFAOYSA-N
MW327.48 g/mol
LogP2.68
Rot. Bonds5

About 2-methyl-1-(2-methyl-2-phenylpropyl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine

2-methyl-1-(2-methyl-2-phenylpropyl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine (PubChem CID 111952893) has the molecular formula C19H29N5 and a molecular weight of 327.48 g/mol. Its IUPAC name is 2-methyl-1-(2-methyl-2-phenylpropyl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine.

Molecular Properties

Compound Name2-methyl-1-(2-methyl-2-phenylpropyl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine
PubChem CID111952893
Molecular FormulaC19H29N5
Molecular Weight327.48 g/mol
Exact Mass327.24
IUPAC Name2-methyl-1-(2-methyl-2-phenylpropyl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine
SMILESC/N=C(\NCc1c(C)nn(C)c1C)NCC(C)(C)c1ccccc1
InChIInChI=1S/C19H29N5/c1-14-17(15(2)24(6)23-14)12-21-18(20-5)22-13-19(3,4)16-10-8-7-9-11-16/h7-11H,12-13H2,1-6H3,(H2,20,21,22)
InChIKeyVMQFKHMQXMAMDB-UHFFFAOYSA-N
XLogP2.68
TPSA54.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.48
LogP ≤ 52.68
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

1-[2-(4-chlorophenyl)-2-methylpropyl]-2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine;hydroiodide
CID 111951232
1-[2-(4-methoxyphenyl)-2-methylpropyl]-2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine;hydroiodide
CID 111951702
2-methyl-1-(2-methyl-2-phenylpropyl)-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]guanidine
CID 111707395
2-methyl-1-[(2-methylphenyl)methyl]-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine;hydroiodide
CID 111785880
1-[(2-fluorophenyl)methyl]-2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine
CID 111783617
2-methyl-1-(naphthalen-1-ylmethyl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine
CID 111952835
2-methyl-1-[(4-phenoxyphenyl)methyl]-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine;hydroiodide
CID 111950720
2-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine
CID 111952181
2-methyl-1-[[2-(phenylmethoxymethyl)phenyl]methyl]-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine;hydroiodide
CID 111953114
2-methyl-1-propyl-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine
CID 111782738
1-[[2-(tert-butylsulfamoyl)phenyl]methyl]-2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine;hydroiodide
CID 111950904
2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine
CID 111780169

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methyl-2-phenylpropyl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine?
The IUPAC name of 2-methyl-1-(2-methyl-2-phenylpropyl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine (CID 111952893) is 2-methyl-1-(2-methyl-2-phenylpropyl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine.
What is the SMILES notation for 2-methyl-1-(2-methyl-2-phenylpropyl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine?
The canonical SMILES for 2-methyl-1-(2-methyl-2-phenylpropyl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine is C/N=C(\NCc1c(C)nn(C)c1C)NCC(C)(C)c1ccccc1.
What is the InChIKey of 2-methyl-1-(2-methyl-2-phenylpropyl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine?
The InChIKey is VMQFKHMQXMAMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5/c1-14-17(15(2)24(6)23-14)12-21-18(20-5)22-13-19(3,4)16-10-8-7-9-11-16/h7-11H,12-13H2,1-6H3,(H2,20,21,22).
What are the key properties of 2-methyl-1-(2-methyl-2-phenylpropyl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine?
2-methyl-1-(2-methyl-2-phenylpropyl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine has a molecular weight of 327.48 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methyl-2-phenylpropyl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine is sourced from PubChem (CID 111952893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).