1-(2-benzylcyclopropyl)-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine

C17H23N5 — CID 119141847

IUPAC1-(2-benzylcyclopropyl)-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine
SMILESC/N=C(\NCc1ccnn1C)NC1CC1Cc1ccccc1
InChIInChI=1S/C17H23N5/c1-18-17(19-12-15-8-9-20-22(15)2)21-16-11-14(16)10-13-6-4-3-5-7-13/h3-9,14,16H,10-12H2,1-2H3,(H2,18,19,21)
InChIKeyKLIUZLMAVACILS-UHFFFAOYSA-N
MW297.41 g/mol
LogP1.72
Rot. Bonds5

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

1-(2-benzylcyclopropyl)-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine (PubChem CID 119141847) has the molecular formula C17H23N5 and a molecular weight of 297.41 g/mol. Its IUPAC name is 1-(2-benzylcyclopropyl)-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine.

Molecular Properties

Compound Name1-(2-benzylcyclopropyl)-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine
PubChem CID119141847
Molecular FormulaC17H23N5
Molecular Weight297.41 g/mol
Exact Mass297.20
IUPAC Name1-(2-benzylcyclopropyl)-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine
SMILESC/N=C(\NCc1ccnn1C)NC1CC1Cc1ccccc1
InChIInChI=1S/C17H23N5/c1-18-17(19-12-15-8-9-20-22(15)2)21-16-11-14(16)10-13-6-4-3-5-7-13/h3-9,14,16H,10-12H2,1-2H3,(H2,18,19,21)
InChIKeyKLIUZLMAVACILS-UHFFFAOYSA-N
XLogP1.72
TPSA54.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 51.72
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-(1-phenylpyrrolidin-3-yl)guanidine;hydroiodide
CID 111910000
2-methyl-1-[(2-methylpyrazol-3-yl)methyl]-3-(4-phenylbutan-2-yl)guanidine;hydroiodide
CID 111172280
2-methyl-1-[(2-methylpyrazol-3-yl)methyl]-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine
CID 111956077
2-methyl-1-[(2-methylpyrazol-3-yl)methyl]-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111018628
2-methyl-1-[(2-methylpyrazol-3-yl)methyl]-3-(1-phenylethyl)guanidine
CID 110949158
1-[[2-(methoxymethyl)phenyl]methyl]-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine
CID 111954415
1-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine
CID 111953471
1-(2-cyclopropylethyl)-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine
CID 111604969
2-methyl-1-[(2-methylpyrazol-3-yl)methyl]-3-propylguanidine
CID 111226466
2-methyl-1-[(2-methylpyrazol-3-yl)methyl]-3-[3-(2-phenylethoxy)propyl]guanidine;hydroiodide
CID 111956222
1-(2,2-dicyclopropylethyl)-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine;hydroiodide
CID 111691019
2-benzyl-1-ethyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine;hydroiodide
CID 110953727

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzylcyclopropyl)-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine?
The IUPAC name of 1-(2-benzylcyclopropyl)-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine (CID 119141847) is 1-(2-benzylcyclopropyl)-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine.
What is the SMILES notation for 1-(2-benzylcyclopropyl)-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine?
The canonical SMILES for 1-(2-benzylcyclopropyl)-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine is C/N=C(\NCc1ccnn1C)NC1CC1Cc1ccccc1.
What is the InChIKey of 1-(2-benzylcyclopropyl)-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine?
The InChIKey is KLIUZLMAVACILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5/c1-18-17(19-12-15-8-9-20-22(15)2)21-16-11-14(16)10-13-6-4-3-5-7-13/h3-9,14,16H,10-12H2,1-2H3,(H2,18,19,21).
What are the key properties of 1-(2-benzylcyclopropyl)-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine?
1-(2-benzylcyclopropyl)-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine has a molecular weight of 297.41 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzylcyclopropyl)-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine is sourced from PubChem (CID 119141847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).