2-methyl-1-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-3-(3-pyrazol-1-ylpropyl)guanidine

C17H33N7 — CID 111905379

IUPAC2-methyl-1-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-3-(3-pyrazol-1-ylpropyl)guanidine
SMILESC/N=C(\NCCCn1cccn1)NCC(C)CN1CCN(C)CC1
InChIInChI=1S/C17H33N7/c1-16(15-23-12-10-22(3)11-13-23)14-20-17(18-2)19-6-4-8-24-9-5-7-21-24/h5,7,9,16H,4,6,8,10-15H2,1-3H3,(H2,18,19,20)
InChIKeyGPQMRGOJVUTQBC-UHFFFAOYSA-N
MW335.50 g/mol
LogP0.32
Rot. Bonds8

About 2-methyl-1-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-3-(3-pyrazol-1-ylpropyl)guanidine

2-methyl-1-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-3-(3-pyrazol-1-ylpropyl)guanidine (PubChem CID 111905379) has the molecular formula C17H33N7 and a molecular weight of 335.50 g/mol. Its IUPAC name is 2-methyl-1-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-3-(3-pyrazol-1-ylpropyl)guanidine.

Molecular Properties

Compound Name2-methyl-1-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-3-(3-pyrazol-1-ylpropyl)guanidine
PubChem CID111905379
Molecular FormulaC17H33N7
Molecular Weight335.50 g/mol
Exact Mass335.28
IUPAC Name2-methyl-1-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-3-(3-pyrazol-1-ylpropyl)guanidine
SMILESC/N=C(\NCCCn1cccn1)NCC(C)CN1CCN(C)CC1
InChIInChI=1S/C17H33N7/c1-16(15-23-12-10-22(3)11-13-23)14-20-17(18-2)19-6-4-8-24-9-5-7-21-24/h5,7,9,16H,4,6,8,10-15H2,1-3H3,(H2,18,19,20)
InChIKeyGPQMRGOJVUTQBC-UHFFFAOYSA-N
XLogP0.32
TPSA60.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.50
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]-3-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111904552
2-methyl-1-[3-(4-methylpiperidin-1-yl)propyl]-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111387740
2-methyl-1-(4-methylpentyl)-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine
CID 111943453
1-[2-(diethylamino)propyl]-2-methyl-3-(3-pyrazol-1-ylpropyl)guanidine
CID 111904245
1-(3-indol-1-ylpropyl)-2-methyl-3-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 111341136
2-methyl-1-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-3-(3-phenoxypropyl)guanidine;hydroiodide
CID 111417474
1-(3-methoxypropyl)-2-methyl-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine
CID 110976393
2-methyl-1-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-3-[(2-methylpyrazol-3-yl)methyl]guanidine;hydroiodide
CID 111954054
1-[3-(azepan-1-yl)propyl]-2-methyl-3-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine
CID 111325290
1-(2,2-diphenylethyl)-2-methyl-3-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 111356839
1-[2-(2,3-dihydroindol-1-yl)propyl]-2-methyl-3-(3-pyrazol-1-ylpropyl)guanidine
CID 111904635
1-[3-(4-benzylpiperazin-1-yl)propyl]-2-methyl-3-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111905088

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-3-(3-pyrazol-1-ylpropyl)guanidine?
The IUPAC name of 2-methyl-1-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-3-(3-pyrazol-1-ylpropyl)guanidine (CID 111905379) is 2-methyl-1-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-3-(3-pyrazol-1-ylpropyl)guanidine.
What is the SMILES notation for 2-methyl-1-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-3-(3-pyrazol-1-ylpropyl)guanidine?
The canonical SMILES for 2-methyl-1-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-3-(3-pyrazol-1-ylpropyl)guanidine is C/N=C(\NCCCn1cccn1)NCC(C)CN1CCN(C)CC1.
What is the InChIKey of 2-methyl-1-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-3-(3-pyrazol-1-ylpropyl)guanidine?
The InChIKey is GPQMRGOJVUTQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N7/c1-16(15-23-12-10-22(3)11-13-23)14-20-17(18-2)19-6-4-8-24-9-5-7-21-24/h5,7,9,16H,4,6,8,10-15H2,1-3H3,(H2,18,19,20).
What are the key properties of 2-methyl-1-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-3-(3-pyrazol-1-ylpropyl)guanidine?
2-methyl-1-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-3-(3-pyrazol-1-ylpropyl)guanidine has a molecular weight of 335.50 g/mol, XLogP of 0.32, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-3-(3-pyrazol-1-ylpropyl)guanidine is sourced from PubChem (CID 111905379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).