2-methyl-1-(1-phenylpyrrolidin-3-yl)-3-[(4-pyrazol-1-ylphenyl)methyl]guanidine

C22H26N6 — CID 111909423

IUPAC2-methyl-1-(1-phenylpyrrolidin-3-yl)-3-[(4-pyrazol-1-ylphenyl)methyl]guanidine
SMILESC/N=C(\NCc1ccc(-n2cccn2)cc1)NC1CCN(c2ccccc2)C1
InChIInChI=1S/C22H26N6/c1-23-22(26-19-12-15-27(17-19)20-6-3-2-4-7-20)24-16-18-8-10-21(11-9-18)28-14-5-13-25-28/h2-11,13-14,19H,12,15-17H2,1H3,(H2,23,24,26)
InChIKeyDKGKZMVNVKPQOK-UHFFFAOYSA-N
MW374.49 g/mol
LogP2.82
Rot. Bonds5

About 2-methyl-1-(1-phenylpyrrolidin-3-yl)-3-[(4-pyrazol-1-ylphenyl)methyl]guanidine

2-methyl-1-(1-phenylpyrrolidin-3-yl)-3-[(4-pyrazol-1-ylphenyl)methyl]guanidine (PubChem CID 111909423) has the molecular formula C22H26N6 and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-methyl-1-(1-phenylpyrrolidin-3-yl)-3-[(4-pyrazol-1-ylphenyl)methyl]guanidine.

Molecular Properties

Compound Name2-methyl-1-(1-phenylpyrrolidin-3-yl)-3-[(4-pyrazol-1-ylphenyl)methyl]guanidine
PubChem CID111909423
Molecular FormulaC22H26N6
Molecular Weight374.49 g/mol
Exact Mass374.22
IUPAC Name2-methyl-1-(1-phenylpyrrolidin-3-yl)-3-[(4-pyrazol-1-ylphenyl)methyl]guanidine
SMILESC/N=C(\NCc1ccc(-n2cccn2)cc1)NC1CCN(c2ccccc2)C1
InChIInChI=1S/C22H26N6/c1-23-22(26-19-12-15-27(17-19)20-6-3-2-4-7-20)24-16-18-8-10-21(11-9-18)28-14-5-13-25-28/h2-11,13-14,19H,12,15-17H2,1H3,(H2,23,24,26)
InChIKeyDKGKZMVNVKPQOK-UHFFFAOYSA-N
XLogP2.82
TPSA57.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 52.82
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-methylphenyl)methyl]-3-(1-phenylpyrrolidin-3-yl)guanidine
CID 111909703
2-methyl-1-[(1-phenylpyrazol-4-yl)methyl]-3-(1-phenylpyrrolidin-3-yl)guanidine;hydroiodide
CID 111909052
1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]guanidine;hydroiodide
CID 111918546
2-methyl-1-[[4-(methylsulfonylmethyl)phenyl]methyl]-3-(1-phenylpyrrolidin-3-yl)guanidine
CID 111909759
2-methyl-1-(1-phenylpyrrolidin-3-yl)-3-[(4-sulfamoylphenyl)methyl]guanidine
CID 111909459
2-methyl-1-[1-(4-methylphenyl)pyrrolidin-3-yl]-3-[(1-phenylpyrazol-3-yl)methyl]guanidine
CID 111923799
N-methyl-4-[[[N'-methyl-N-(1-phenylpyrrolidin-3-yl)carbamimidoyl]amino]methyl]benzamide;hydroiodide
CID 111909258
2-methyl-1-(1-phenylpyrrolidin-3-yl)-3-[(4-propan-2-yloxyphenyl)methyl]guanidine;hydroiodide
CID 111909446
2-methyl-1-[(2-methylpyrazol-3-yl)methyl]-3-(1-phenylpyrrolidin-3-yl)guanidine;hydroiodide
CID 111910000
2-methyl-1-(1-phenylpyrrolidin-3-yl)-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine
CID 111909613
1-(isoquinolin-1-ylmethyl)-2-methyl-3-(1-phenylpyrrolidin-3-yl)guanidine
CID 111909667
2-methyl-1-(2-methyl-3-pyrazol-1-ylpropyl)-3-(1-phenylpyrrolidin-3-yl)guanidine;hydroiodide
CID 111909754

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1-phenylpyrrolidin-3-yl)-3-[(4-pyrazol-1-ylphenyl)methyl]guanidine?
The IUPAC name of 2-methyl-1-(1-phenylpyrrolidin-3-yl)-3-[(4-pyrazol-1-ylphenyl)methyl]guanidine (CID 111909423) is 2-methyl-1-(1-phenylpyrrolidin-3-yl)-3-[(4-pyrazol-1-ylphenyl)methyl]guanidine.
What is the SMILES notation for 2-methyl-1-(1-phenylpyrrolidin-3-yl)-3-[(4-pyrazol-1-ylphenyl)methyl]guanidine?
The canonical SMILES for 2-methyl-1-(1-phenylpyrrolidin-3-yl)-3-[(4-pyrazol-1-ylphenyl)methyl]guanidine is C/N=C(\NCc1ccc(-n2cccn2)cc1)NC1CCN(c2ccccc2)C1.
What is the InChIKey of 2-methyl-1-(1-phenylpyrrolidin-3-yl)-3-[(4-pyrazol-1-ylphenyl)methyl]guanidine?
The InChIKey is DKGKZMVNVKPQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6/c1-23-22(26-19-12-15-27(17-19)20-6-3-2-4-7-20)24-16-18-8-10-21(11-9-18)28-14-5-13-25-28/h2-11,13-14,19H,12,15-17H2,1H3,(H2,23,24,26).
What are the key properties of 2-methyl-1-(1-phenylpyrrolidin-3-yl)-3-[(4-pyrazol-1-ylphenyl)methyl]guanidine?
2-methyl-1-(1-phenylpyrrolidin-3-yl)-3-[(4-pyrazol-1-ylphenyl)methyl]guanidine has a molecular weight of 374.49 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1-phenylpyrrolidin-3-yl)-3-[(4-pyrazol-1-ylphenyl)methyl]guanidine is sourced from PubChem (CID 111909423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).