N'-methyl-3-(2-methylpropyl)-N-(2-pyrazol-1-ylethyl)pyrrolidine-1-carboximidamide

C15H27N5 — CID 111734751

IUPACN'-methyl-3-(2-methylpropyl)-N-(2-pyrazol-1-ylethyl)pyrrolidine-1-carboximidamide
SMILESC/N=C(\NCCn1cccn1)N1CCC(CC(C)C)C1
InChIInChI=1S/C15H27N5/c1-13(2)11-14-5-9-19(12-14)15(16-3)17-7-10-20-8-4-6-18-20/h4,6,8,13-14H,5,7,9-12H2,1-3H3,(H,16,17)
InChIKeySULLAYLVAAEOFV-UHFFFAOYSA-N
MW277.42 g/mol
LogP1.83
Rot. Bonds5

About N'-methyl-3-(2-methylpropyl)-N-(2-pyrazol-1-ylethyl)pyrrolidine-1-carboximidamide

N'-methyl-3-(2-methylpropyl)-N-(2-pyrazol-1-ylethyl)pyrrolidine-1-carboximidamide (PubChem CID 111734751) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is N'-methyl-3-(2-methylpropyl)-N-(2-pyrazol-1-ylethyl)pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN'-methyl-3-(2-methylpropyl)-N-(2-pyrazol-1-ylethyl)pyrrolidine-1-carboximidamide
PubChem CID111734751
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC NameN'-methyl-3-(2-methylpropyl)-N-(2-pyrazol-1-ylethyl)pyrrolidine-1-carboximidamide
SMILESC/N=C(\NCCn1cccn1)N1CCC(CC(C)C)C1
InChIInChI=1S/C15H27N5/c1-13(2)11-14-5-9-19(12-14)15(16-3)17-7-10-20-8-4-6-18-20/h4,6,8,13-14H,5,7,9-12H2,1-3H3,(H,16,17)
InChIKeySULLAYLVAAEOFV-UHFFFAOYSA-N
XLogP1.83
TPSA45.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 51.83
H-Bond Donors ≤ 51
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

N'-methyl-3-(2-methylpropyl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111733988
N'-methyl-N-(2-pyrazol-1-ylethyl)pyrrolidine-1-carboximidamide
CID 110934489
N'-methyl-N-(2-pyrazol-1-ylethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 110934488
N',3-dimethyl-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboximidamide
CID 111143810
N-[2-(4-acetylpiperazin-1-yl)ethyl]-N'-methyl-3-(2-methylpropyl)pyrrolidine-1-carboximidamide
CID 111734909
N-(3-ethoxypropyl)-N'-methyl-3-(2-methylpropyl)pyrrolidine-1-carboximidamide
CID 111734385
N-(2-ethylsulfonylethyl)-N'-methyl-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111734876
N-[2-[ethyl(methyl)amino]ethyl]-N'-methyl-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111734420
2-ethyl-N'-methyl-N-(2-pyrazol-1-ylethyl)thiomorpholine-4-carboximidamide
CID 109485606
N'-methyl-N-(2-pyrazol-1-ylethyl)-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole-2-carboximidamide
CID 119145070
N-[7-(dimethylamino)heptyl]-N'-methyl-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111734548
N-[2-(benzenesulfonyl)ethyl]-N'-methyl-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111733964

Frequently Asked Questions

What is the IUPAC name of N'-methyl-3-(2-methylpropyl)-N-(2-pyrazol-1-ylethyl)pyrrolidine-1-carboximidamide?
The IUPAC name of N'-methyl-3-(2-methylpropyl)-N-(2-pyrazol-1-ylethyl)pyrrolidine-1-carboximidamide (CID 111734751) is N'-methyl-3-(2-methylpropyl)-N-(2-pyrazol-1-ylethyl)pyrrolidine-1-carboximidamide.
What is the SMILES notation for N'-methyl-3-(2-methylpropyl)-N-(2-pyrazol-1-ylethyl)pyrrolidine-1-carboximidamide?
The canonical SMILES for N'-methyl-3-(2-methylpropyl)-N-(2-pyrazol-1-ylethyl)pyrrolidine-1-carboximidamide is C/N=C(\NCCn1cccn1)N1CCC(CC(C)C)C1.
What is the InChIKey of N'-methyl-3-(2-methylpropyl)-N-(2-pyrazol-1-ylethyl)pyrrolidine-1-carboximidamide?
The InChIKey is SULLAYLVAAEOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-13(2)11-14-5-9-19(12-14)15(16-3)17-7-10-20-8-4-6-18-20/h4,6,8,13-14H,5,7,9-12H2,1-3H3,(H,16,17).
What are the key properties of N'-methyl-3-(2-methylpropyl)-N-(2-pyrazol-1-ylethyl)pyrrolidine-1-carboximidamide?
N'-methyl-3-(2-methylpropyl)-N-(2-pyrazol-1-ylethyl)pyrrolidine-1-carboximidamide has a molecular weight of 277.42 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-3-(2-methylpropyl)-N-(2-pyrazol-1-ylethyl)pyrrolidine-1-carboximidamide is sourced from PubChem (CID 111734751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).