N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-N'-methyl-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboximidamide

C21H38N6 — CID 109406204

IUPACN-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-N'-methyl-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboximidamide
SMILESCCc1nn(C)c(CC)c1CN/C(=N\C)N1CCC(CN2CCCCC2)C1
InChIInChI=1S/C21H38N6/c1-5-19-18(20(6-2)25(4)24-19)14-23-21(22-3)27-13-10-17(16-27)15-26-11-8-7-9-12-26/h17H,5-16H2,1-4H3,(H,22,23)
InChIKeyILOKMQKZWSNKPC-UHFFFAOYSA-N
MW374.58 g/mol
LogP2.43
Rot. Bonds6

About N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-N'-methyl-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboximidamide

N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-N'-methyl-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboximidamide (PubChem CID 109406204) has the molecular formula C21H38N6 and a molecular weight of 374.58 g/mol. Its IUPAC name is N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-N'-methyl-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-N'-methyl-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboximidamide
PubChem CID109406204
Molecular FormulaC21H38N6
Molecular Weight374.58 g/mol
Exact Mass374.32
IUPAC NameN-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-N'-methyl-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboximidamide
SMILESCCc1nn(C)c(CC)c1CN/C(=N\C)N1CCC(CN2CCCCC2)C1
InChIInChI=1S/C21H38N6/c1-5-19-18(20(6-2)25(4)24-19)14-23-21(22-3)27-13-10-17(16-27)15-26-11-8-7-9-12-26/h17H,5-16H2,1-4H3,(H,22,23)
InChIKeyILOKMQKZWSNKPC-UHFFFAOYSA-N
XLogP2.43
TPSA48.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.58
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-N'-methyl-3-(2-methylpropyl)pyrrolidine-1-carboximidamide
CID 109405881
3-benzyl-N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 109405178
N'-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-N-ethyl-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboximidamide
CID 109406194
4-(2-bicyclo[2.2.1]heptanyl)-N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-N'-methylpiperazine-1-carboximidamide
CID 109406440
N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-N'-methyl-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide;hydroiodide
CID 109402190
N-[(4-bromophenyl)methyl]-N'-methyl-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111978469
N'-methyl-3-(piperidin-1-ylmethyl)-N-(2-thiomorpholin-4-ylethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 119154325
N-[2-(diethylsulfamoyl)ethyl]-N'-methyl-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111996288
1-(1-cyclohexylpiperidin-3-yl)-3-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-methylguanidine
CID 109405787
N-(2-cyclohexyl-2-hydroxyethyl)-N'-methyl-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 119155306
1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-methyl-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine
CID 109402911
N-[(1-hydroxycyclobutyl)methyl]-N'-methyl-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 119156330

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-N'-methyl-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboximidamide?
The IUPAC name of N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-N'-methyl-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboximidamide (CID 109406204) is N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-N'-methyl-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboximidamide.
What is the SMILES notation for N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-N'-methyl-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboximidamide?
The canonical SMILES for N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-N'-methyl-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboximidamide is CCc1nn(C)c(CC)c1CN/C(=N\C)N1CCC(CN2CCCCC2)C1.
What is the InChIKey of N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-N'-methyl-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboximidamide?
The InChIKey is ILOKMQKZWSNKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N6/c1-5-19-18(20(6-2)25(4)24-19)14-23-21(22-3)27-13-10-17(16-27)15-26-11-8-7-9-12-26/h17H,5-16H2,1-4H3,(H,22,23).
What are the key properties of N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-N'-methyl-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboximidamide?
N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-N'-methyl-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboximidamide has a molecular weight of 374.58 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-N'-methyl-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboximidamide is sourced from PubChem (CID 109406204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).