N'-methyl-3-morpholin-4-yl-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyrrolidine-1-carboximidamide

C21H30N6O — CID 111728499

IUPACN'-methyl-3-morpholin-4-yl-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyrrolidine-1-carboximidamide
SMILESC/N=C(\NCCc1cnn(-c2ccccc2)c1)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C21H30N6O/c1-22-21(26-10-8-20(17-26)25-11-13-28-14-12-25)23-9-7-18-15-24-27(16-18)19-5-3-2-4-6-19/h2-6,15-16,20H,7-14,17H2,1H3,(H,22,23)
InChIKeyCMYGWGULITYYKT-UHFFFAOYSA-N
MW382.51 g/mol
LogP1.40
Rot. Bonds5

About N'-methyl-3-morpholin-4-yl-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyrrolidine-1-carboximidamide

N'-methyl-3-morpholin-4-yl-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyrrolidine-1-carboximidamide (PubChem CID 111728499) has the molecular formula C21H30N6O and a molecular weight of 382.51 g/mol. Its IUPAC name is N'-methyl-3-morpholin-4-yl-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN'-methyl-3-morpholin-4-yl-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyrrolidine-1-carboximidamide
PubChem CID111728499
Molecular FormulaC21H30N6O
Molecular Weight382.51 g/mol
Exact Mass382.25
IUPAC NameN'-methyl-3-morpholin-4-yl-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyrrolidine-1-carboximidamide
SMILESC/N=C(\NCCc1cnn(-c2ccccc2)c1)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C21H30N6O/c1-22-21(26-10-8-20(17-26)25-11-13-28-14-12-25)23-9-7-18-15-24-27(16-18)19-5-3-2-4-6-19/h2-6,15-16,20H,7-14,17H2,1H3,(H,22,23)
InChIKeyCMYGWGULITYYKT-UHFFFAOYSA-N
XLogP1.40
TPSA57.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-morpholin-4-yl-N'-[(1-phenylpyrazol-4-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111728350
N'-methyl-4-phenyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 110962058
N-[(1-benzylpyrazol-4-yl)methyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111727056
N-[2-(4-fluorophenyl)ethyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111726696
N'-methyl-N-[2-(3-methylphenyl)ethyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111726240
N'-methyl-3-morpholin-4-yl-N-(2-phenoxyethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111727060
4-(4-methoxyphenyl)-N'-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]piperazine-1-carboximidamide
CID 111242895
N'-methyl-3-morpholin-4-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidine-1-carboximidamide
CID 111728275
N'-methyl-4-phenyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 111263761
N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111727469
N-[2-(1H-indol-3-yl)ethyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111725817
2-methyl-1-[2-(1-phenylpyrazol-4-yl)ethyl]-3-(1-phenylpyrrolidin-3-yl)guanidine
CID 111911067

Frequently Asked Questions

What is the IUPAC name of N'-methyl-3-morpholin-4-yl-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyrrolidine-1-carboximidamide?
The IUPAC name of N'-methyl-3-morpholin-4-yl-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyrrolidine-1-carboximidamide (CID 111728499) is N'-methyl-3-morpholin-4-yl-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyrrolidine-1-carboximidamide.
What is the SMILES notation for N'-methyl-3-morpholin-4-yl-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyrrolidine-1-carboximidamide?
The canonical SMILES for N'-methyl-3-morpholin-4-yl-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyrrolidine-1-carboximidamide is C/N=C(\NCCc1cnn(-c2ccccc2)c1)N1CCC(N2CCOCC2)C1.
What is the InChIKey of N'-methyl-3-morpholin-4-yl-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyrrolidine-1-carboximidamide?
The InChIKey is CMYGWGULITYYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O/c1-22-21(26-10-8-20(17-26)25-11-13-28-14-12-25)23-9-7-18-15-24-27(16-18)19-5-3-2-4-6-19/h2-6,15-16,20H,7-14,17H2,1H3,(H,22,23).
What are the key properties of N'-methyl-3-morpholin-4-yl-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyrrolidine-1-carboximidamide?
N'-methyl-3-morpholin-4-yl-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyrrolidine-1-carboximidamide has a molecular weight of 382.51 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-3-morpholin-4-yl-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyrrolidine-1-carboximidamide is sourced from PubChem (CID 111728499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).