1-cyclopentyl-2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]guanidine

C22H24FN5 — CID 47086560

IUPAC1-cyclopentyl-2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]guanidine
SMILESN/C(=N\Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)NC1CCCC1
InChIInChI=1S/C22H24FN5/c23-18-12-10-16(11-13-18)21-17(14-25-22(24)26-19-6-4-5-7-19)15-28(27-21)20-8-2-1-3-9-20/h1-3,8-13,15,19H,4-7,14H2,(H3,24,25,26)
InChIKeyWBLZTMXFQZCYJU-UHFFFAOYSA-N
MW377.47 g/mol
LogP4.03
Rot. Bonds5

About 1-cyclopentyl-2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]guanidine

1-cyclopentyl-2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]guanidine (PubChem CID 47086560) has the molecular formula C22H24FN5 and a molecular weight of 377.47 g/mol. Its IUPAC name is 1-cyclopentyl-2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]guanidine.

Molecular Properties

Compound Name1-cyclopentyl-2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]guanidine
PubChem CID47086560
Molecular FormulaC22H24FN5
Molecular Weight377.47 g/mol
Exact Mass377.20
IUPAC Name1-cyclopentyl-2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]guanidine
SMILESN/C(=N\Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)NC1CCCC1
InChIInChI=1S/C22H24FN5/c23-18-12-10-16(11-13-18)21-17(14-25-22(24)26-19-6-4-5-7-19)15-28(27-21)20-8-2-1-3-9-20/h1-3,8-13,15,19H,4-7,14H2,(H3,24,25,26)
InChIKeyWBLZTMXFQZCYJU-UHFFFAOYSA-N
XLogP4.03
TPSA68.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

1-cyclopropyl-2-[(3-methyl-1-phenylpyrazol-4-yl)methyl]guanidine;hydroiodide
CID 110026737
1-cyclohexyl-2-[(1-phenylpyrazol-3-yl)methyl]guanidine
CID 119119668
N-[1-(aminomethyl)cyclopentyl]-2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]acetamide
CID 119566079
N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 55429498
2-(cyclopropylmethylamino)-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]acetamide;hydrochloride
CID 119694555
(2R)-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 8589833
1-cyclohexyl-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine
CID 111063308
N-[(Z)-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]cyclohexanecarboxamide
CID 6175980
N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 43048851
N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]cyclobutanamine
CID 119125462
[3-(4-cyclohexylphenyl)-1-phenylpyrazol-4-yl]methanol
CID 1474502
2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119461433

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]guanidine?
The IUPAC name of 1-cyclopentyl-2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]guanidine (CID 47086560) is 1-cyclopentyl-2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]guanidine.
What is the SMILES notation for 1-cyclopentyl-2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]guanidine?
The canonical SMILES for 1-cyclopentyl-2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]guanidine is N/C(=N\Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]guanidine?
The InChIKey is WBLZTMXFQZCYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5/c23-18-12-10-16(11-13-18)21-17(14-25-22(24)26-19-6-4-5-7-19)15-28(27-21)20-8-2-1-3-9-20/h1-3,8-13,15,19H,4-7,14H2,(H3,24,25,26).
What are the key properties of 1-cyclopentyl-2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]guanidine?
1-cyclopentyl-2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]guanidine has a molecular weight of 377.47 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]guanidine is sourced from PubChem (CID 47086560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).