2-methyl-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-(2-pyrazol-1-ylethyl)guanidine

C18H24N6O — CID 111414112

IUPAC2-methyl-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-(2-pyrazol-1-ylethyl)guanidine
SMILESC/N=C(\NCCn1cccn1)NCc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C18H24N6O/c1-19-18(20-10-13-23-11-3-9-22-23)21-14-15-5-7-16(8-6-15)24-12-2-4-17(24)25/h3,5-9,11H,2,4,10,12-14H2,1H3,(H2,19,20,21)
InChIKeyFUKLLZQGVUMXQN-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.38
Rot. Bonds6

About 2-methyl-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-(2-pyrazol-1-ylethyl)guanidine

2-methyl-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-(2-pyrazol-1-ylethyl)guanidine (PubChem CID 111414112) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-methyl-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-(2-pyrazol-1-ylethyl)guanidine.

Molecular Properties

Compound Name2-methyl-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-(2-pyrazol-1-ylethyl)guanidine
PubChem CID111414112
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name2-methyl-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-(2-pyrazol-1-ylethyl)guanidine
SMILESC/N=C(\NCCn1cccn1)NCc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C18H24N6O/c1-19-18(20-10-13-23-11-3-9-22-23)21-14-15-5-7-16(8-6-15)24-12-2-4-17(24)25/h3,5-9,11H,2,4,10,12-14H2,1H3,(H2,19,20,21)
InChIKeyFUKLLZQGVUMXQN-UHFFFAOYSA-N
XLogP1.38
TPSA74.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.38
H-Bond Donors ≤ 52
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

2-methyl-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-(3-pyrazol-1-ylpropyl)guanidine
CID 111413408
2-methyl-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111413113
1-ethyl-2-methyl-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine
CID 111413084
1-[2-(4-acetylpiperazin-1-yl)ethyl]-2-methyl-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine
CID 111414178
2-methyl-1-[4-(2-oxo-1-pyridinyl)butyl]-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine
CID 111412690
1-butyl-2-methyl-3-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]guanidine;hydroiodide
CID 111151603
2-methyl-1-[2-(4-methylphenyl)ethyl]-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine
CID 111601627
2-methyl-1-[3-(1-methylpyrazol-4-yl)propyl]-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine;hydroiodide
CID 111413603
2-methyl-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]guanidine
CID 111413298
2-methyl-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine;hydroiodide
CID 111412699
2-methyl-1-[(3-methyl-2-pyridinyl)methyl]-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine
CID 111788878
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methyl-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine
CID 111279563

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-(2-pyrazol-1-ylethyl)guanidine?
The IUPAC name of 2-methyl-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-(2-pyrazol-1-ylethyl)guanidine (CID 111414112) is 2-methyl-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-(2-pyrazol-1-ylethyl)guanidine.
What is the SMILES notation for 2-methyl-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-(2-pyrazol-1-ylethyl)guanidine?
The canonical SMILES for 2-methyl-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-(2-pyrazol-1-ylethyl)guanidine is C/N=C(\NCCn1cccn1)NCc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 2-methyl-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-(2-pyrazol-1-ylethyl)guanidine?
The InChIKey is FUKLLZQGVUMXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c1-19-18(20-10-13-23-11-3-9-22-23)21-14-15-5-7-16(8-6-15)24-12-2-4-17(24)25/h3,5-9,11H,2,4,10,12-14H2,1H3,(H2,19,20,21).
What are the key properties of 2-methyl-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-(2-pyrazol-1-ylethyl)guanidine?
2-methyl-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-(2-pyrazol-1-ylethyl)guanidine has a molecular weight of 340.43 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-(2-pyrazol-1-ylethyl)guanidine is sourced from PubChem (CID 111414112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).