2-(2-methyl-3-pyrazol-1-ylpropyl)-1-(3-propan-2-ylphenyl)guanidine

C17H25N5 — CID 111070570

IUPAC2-(2-methyl-3-pyrazol-1-ylpropyl)-1-(3-propan-2-ylphenyl)guanidine
SMILESCC(C/N=C(\N)Nc1cccc(C(C)C)c1)Cn1cccn1
InChIInChI=1S/C17H25N5/c1-13(2)15-6-4-7-16(10-15)21-17(18)19-11-14(3)12-22-9-5-8-20-22/h4-10,13-14H,11-12H2,1-3H3,(H3,18,19,21)
InChIKeyUJXLBNLZWQOKFK-UHFFFAOYSA-N
MW299.42 g/mol
LogP3.07
Rot. Bonds6

About 2-(2-methyl-3-pyrazol-1-ylpropyl)-1-(3-propan-2-ylphenyl)guanidine

2-(2-methyl-3-pyrazol-1-ylpropyl)-1-(3-propan-2-ylphenyl)guanidine (PubChem CID 111070570) has the molecular formula C17H25N5 and a molecular weight of 299.42 g/mol. Its IUPAC name is 2-(2-methyl-3-pyrazol-1-ylpropyl)-1-(3-propan-2-ylphenyl)guanidine.

Molecular Properties

Compound Name2-(2-methyl-3-pyrazol-1-ylpropyl)-1-(3-propan-2-ylphenyl)guanidine
PubChem CID111070570
Molecular FormulaC17H25N5
Molecular Weight299.42 g/mol
Exact Mass299.21
IUPAC Name2-(2-methyl-3-pyrazol-1-ylpropyl)-1-(3-propan-2-ylphenyl)guanidine
SMILESCC(C/N=C(\N)Nc1cccc(C(C)C)c1)Cn1cccn1
InChIInChI=1S/C17H25N5/c1-13(2)15-6-4-7-16(10-15)21-17(18)19-11-14(3)12-22-9-5-8-20-22/h4-10,13-14H,11-12H2,1-3H3,(H3,18,19,21)
InChIKeyUJXLBNLZWQOKFK-UHFFFAOYSA-N
XLogP3.07
TPSA68.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.07
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-(3-ethylphenyl)-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111070553
1-(4-methylphenyl)-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111070545
1-(3-propan-2-ylphenyl)-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111038147
2-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 111070469
2-(2-methyl-3-pyrazol-1-ylpropyl)-1-(4-propan-2-yloxyphenyl)guanidine;hydroiodide
CID 111070583
2-(3-hydroxy-2-phenylpropyl)-1-(3-propan-2-ylphenyl)guanidine
CID 111799934
2-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-1-(3-propan-2-ylphenyl)guanidine
CID 111815416
2-(2-methoxy-2-phenylethyl)-1-(3-propan-2-ylphenyl)guanidine
CID 111043614
2-(2-ethylsulfonylethyl)-1-(3-propan-2-ylphenyl)guanidine
CID 111100417
2-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-1-(3-propan-2-ylphenyl)guanidine
CID 110032566
1-[1-(2,4-dichlorophenyl)ethyl]-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine
CID 111070596
1-(3-propan-2-ylphenyl)-2-(2-thiophen-3-ylpropyl)guanidine;hydroiodide
CID 111758196

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-3-pyrazol-1-ylpropyl)-1-(3-propan-2-ylphenyl)guanidine?
The IUPAC name of 2-(2-methyl-3-pyrazol-1-ylpropyl)-1-(3-propan-2-ylphenyl)guanidine (CID 111070570) is 2-(2-methyl-3-pyrazol-1-ylpropyl)-1-(3-propan-2-ylphenyl)guanidine.
What is the SMILES notation for 2-(2-methyl-3-pyrazol-1-ylpropyl)-1-(3-propan-2-ylphenyl)guanidine?
The canonical SMILES for 2-(2-methyl-3-pyrazol-1-ylpropyl)-1-(3-propan-2-ylphenyl)guanidine is CC(C/N=C(\N)Nc1cccc(C(C)C)c1)Cn1cccn1.
What is the InChIKey of 2-(2-methyl-3-pyrazol-1-ylpropyl)-1-(3-propan-2-ylphenyl)guanidine?
The InChIKey is UJXLBNLZWQOKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5/c1-13(2)15-6-4-7-16(10-15)21-17(18)19-11-14(3)12-22-9-5-8-20-22/h4-10,13-14H,11-12H2,1-3H3,(H3,18,19,21).
What are the key properties of 2-(2-methyl-3-pyrazol-1-ylpropyl)-1-(3-propan-2-ylphenyl)guanidine?
2-(2-methyl-3-pyrazol-1-ylpropyl)-1-(3-propan-2-ylphenyl)guanidine has a molecular weight of 299.42 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-3-pyrazol-1-ylpropyl)-1-(3-propan-2-ylphenyl)guanidine is sourced from PubChem (CID 111070570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).