N'-methyl-3-(1-methylpyrazol-4-yl)-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrrolidine-1-carboximidamide

C23H34N6O2 — CID 111742709

IUPACN'-methyl-3-(1-methylpyrazol-4-yl)-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrrolidine-1-carboximidamide
SMILESC/N=C(/NCc1ccccc1OCCN1CCOCC1)N1CCC(c2cnn(C)c2)C1
InChIInChI=1S/C23H34N6O2/c1-24-23(29-8-7-20(18-29)21-16-26-27(2)17-21)25-15-19-5-3-4-6-22(19)31-14-11-28-9-12-30-13-10-28/h3-6,16-17,20H,7-15,18H2,1-2H3,(H,24,25)
InChIKeyIZYVJZRPESQSDG-UHFFFAOYSA-N
MW426.57 g/mol
LogP1.70
Rot. Bonds7

About N'-methyl-3-(1-methylpyrazol-4-yl)-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrrolidine-1-carboximidamide

N'-methyl-3-(1-methylpyrazol-4-yl)-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrrolidine-1-carboximidamide (PubChem CID 111742709) has the molecular formula C23H34N6O2 and a molecular weight of 426.57 g/mol. Its IUPAC name is N'-methyl-3-(1-methylpyrazol-4-yl)-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN'-methyl-3-(1-methylpyrazol-4-yl)-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrrolidine-1-carboximidamide
PubChem CID111742709
Molecular FormulaC23H34N6O2
Molecular Weight426.57 g/mol
Exact Mass426.27
IUPAC NameN'-methyl-3-(1-methylpyrazol-4-yl)-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrrolidine-1-carboximidamide
SMILESC/N=C(/NCc1ccccc1OCCN1CCOCC1)N1CCC(c2cnn(C)c2)C1
InChIInChI=1S/C23H34N6O2/c1-24-23(29-8-7-20(18-29)21-16-26-27(2)17-21)25-15-19-5-3-4-6-22(19)31-14-11-28-9-12-30-13-10-28/h3-6,16-17,20H,7-15,18H2,1-2H3,(H,24,25)
InChIKeyIZYVJZRPESQSDG-UHFFFAOYSA-N
XLogP1.70
TPSA67.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.57
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-ethyl-3-(1-methylpyrazol-4-yl)-N'-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrrolidine-1-carboximidamide
CID 111742121
N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111743404
N',3,5-trimethyl-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]piperidine-1-carboximidamide
CID 111154682
N-[[2-(methoxymethyl)phenyl]methyl]-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide
CID 111742721
N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide
CID 111996007
N'-methyl-3-(1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylbutyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111743400
N'-methyl-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111207179
N-[[2-(ethoxymethyl)phenyl]methyl]-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide
CID 111741937
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide
CID 111741142
N'-methyl-3-(1-methylpyrazol-4-yl)-N-[2-(2-phenylphenoxy)ethyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111742692
N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide
CID 111741909
1-cyclopentyl-2-methyl-3-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine;hydroiodide
CID 110990264

Frequently Asked Questions

What is the IUPAC name of N'-methyl-3-(1-methylpyrazol-4-yl)-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrrolidine-1-carboximidamide?
The IUPAC name of N'-methyl-3-(1-methylpyrazol-4-yl)-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrrolidine-1-carboximidamide (CID 111742709) is N'-methyl-3-(1-methylpyrazol-4-yl)-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrrolidine-1-carboximidamide.
What is the SMILES notation for N'-methyl-3-(1-methylpyrazol-4-yl)-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrrolidine-1-carboximidamide?
The canonical SMILES for N'-methyl-3-(1-methylpyrazol-4-yl)-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrrolidine-1-carboximidamide is C/N=C(/NCc1ccccc1OCCN1CCOCC1)N1CCC(c2cnn(C)c2)C1.
What is the InChIKey of N'-methyl-3-(1-methylpyrazol-4-yl)-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrrolidine-1-carboximidamide?
The InChIKey is IZYVJZRPESQSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N6O2/c1-24-23(29-8-7-20(18-29)21-16-26-27(2)17-21)25-15-19-5-3-4-6-22(19)31-14-11-28-9-12-30-13-10-28/h3-6,16-17,20H,7-15,18H2,1-2H3,(H,24,25).
What are the key properties of N'-methyl-3-(1-methylpyrazol-4-yl)-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrrolidine-1-carboximidamide?
N'-methyl-3-(1-methylpyrazol-4-yl)-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrrolidine-1-carboximidamide has a molecular weight of 426.57 g/mol, XLogP of 1.70, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-3-(1-methylpyrazol-4-yl)-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrrolidine-1-carboximidamide is sourced from PubChem (CID 111742709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).