1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(2-pyrazol-1-ylphenyl)methyl]guanidine

C19H27N5 — CID 109469139

IUPAC1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(2-pyrazol-1-ylphenyl)methyl]guanidine
SMILESCCC1(CN/C(=N\C)NCc2ccccc2-n2cccn2)CCC1
InChIInChI=1S/C19H27N5/c1-3-19(10-6-11-19)15-22-18(20-2)21-14-16-8-4-5-9-17(16)24-13-7-12-23-24/h4-5,7-9,12-13H,3,6,10-11,14-15H2,1-2H3,(H2,20,21,22)
InChIKeyNEQGTMNTQCLYOY-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.12
Rot. Bonds6

About 1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(2-pyrazol-1-ylphenyl)methyl]guanidine

1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(2-pyrazol-1-ylphenyl)methyl]guanidine (PubChem CID 109469139) has the molecular formula C19H27N5 and a molecular weight of 325.46 g/mol. Its IUPAC name is 1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(2-pyrazol-1-ylphenyl)methyl]guanidine.

Molecular Properties

Compound Name1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(2-pyrazol-1-ylphenyl)methyl]guanidine
PubChem CID109469139
Molecular FormulaC19H27N5
Molecular Weight325.46 g/mol
Exact Mass325.23
IUPAC Name1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(2-pyrazol-1-ylphenyl)methyl]guanidine
SMILESCCC1(CN/C(=N\C)NCc2ccccc2-n2cccn2)CCC1
InChIInChI=1S/C19H27N5/c1-3-19(10-6-11-19)15-22-18(20-2)21-14-16-8-4-5-9-17(16)24-13-7-12-23-24/h4-5,7-9,12-13H,3,6,10-11,14-15H2,1-2H3,(H2,20,21,22)
InChIKeyNEQGTMNTQCLYOY-UHFFFAOYSA-N
XLogP3.12
TPSA54.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.12
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-[(1-ethylcyclobutyl)methyl]-3-[(2-fluorophenyl)methyl]-2-methylguanidine;hydroiodide
CID 109470625
1-[(1-ethylcyclobutyl)methyl]-3-[[2-(methoxymethyl)phenyl]methyl]-2-methylguanidine;hydroiodide
CID 109468925
1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine
CID 109470066
1-[(1-ethylcyclobutyl)methyl]-3-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-methylguanidine
CID 109469674
1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(6-methyl-2-pyridinyl)methyl]guanidine
CID 109470292
1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(2,4,5-trimethoxyphenyl)methyl]guanidine
CID 109469059
1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]guanidine
CID 109468743
3-[[(2-pyrazol-1-ylphenyl)methylamino]methyl]pyrrolidin-3-ol;dihydrochloride
CID 154893140
1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]guanidine;hydroiodide
CID 109470890
trans-(1R,2S)-2-ethylsulfanyl-1-[[(2-pyrazol-1-ylphenyl)methylamino]methyl]cyclobutan-1-ol
CID 97022387
2-methyl-1-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111852069
1-[(2-imidazol-1-ylphenyl)methyl]-2-methyl-3-[(1-phenylcyclopropyl)methyl]guanidine
CID 111856666

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(2-pyrazol-1-ylphenyl)methyl]guanidine?
The IUPAC name of 1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(2-pyrazol-1-ylphenyl)methyl]guanidine (CID 109469139) is 1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(2-pyrazol-1-ylphenyl)methyl]guanidine.
What is the SMILES notation for 1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(2-pyrazol-1-ylphenyl)methyl]guanidine?
The canonical SMILES for 1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(2-pyrazol-1-ylphenyl)methyl]guanidine is CCC1(CN/C(=N\C)NCc2ccccc2-n2cccn2)CCC1.
What is the InChIKey of 1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(2-pyrazol-1-ylphenyl)methyl]guanidine?
The InChIKey is NEQGTMNTQCLYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5/c1-3-19(10-6-11-19)15-22-18(20-2)21-14-16-8-4-5-9-17(16)24-13-7-12-23-24/h4-5,7-9,12-13H,3,6,10-11,14-15H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(2-pyrazol-1-ylphenyl)methyl]guanidine?
1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(2-pyrazol-1-ylphenyl)methyl]guanidine has a molecular weight of 325.46 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(2-pyrazol-1-ylphenyl)methyl]guanidine is sourced from PubChem (CID 109469139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).