4-(4-fluorophenyl)-N'-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]piperazine-1-carboximidamide

C22H24F2N6 — CID 111821232

IUPAC4-(4-fluorophenyl)-N'-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]piperazine-1-carboximidamide
SMILESN/C(=N\CCc1ccn(-c2ccc(F)cc2)n1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H24F2N6/c23-17-1-5-20(6-2-17)28-13-15-29(16-14-28)22(25)26-11-9-19-10-12-30(27-19)21-7-3-18(24)4-8-21/h1-8,10,12H,9,11,13-16H2,(H2,25,26)
InChIKeyMMBAEBVBRVBXOI-UHFFFAOYSA-N
MW410.47 g/mol
LogP2.83
Rot. Bonds5

About 4-(4-fluorophenyl)-N'-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]piperazine-1-carboximidamide

4-(4-fluorophenyl)-N'-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]piperazine-1-carboximidamide (PubChem CID 111821232) has the molecular formula C22H24F2N6 and a molecular weight of 410.47 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N'-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]piperazine-1-carboximidamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N'-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]piperazine-1-carboximidamide
PubChem CID111821232
Molecular FormulaC22H24F2N6
Molecular Weight410.47 g/mol
Exact Mass410.20
IUPAC Name4-(4-fluorophenyl)-N'-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]piperazine-1-carboximidamide
SMILESN/C(=N\CCc1ccn(-c2ccc(F)cc2)n1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H24F2N6/c23-17-1-5-20(6-2-17)28-13-15-29(16-14-28)22(25)26-11-9-19-10-12-30(27-19)21-7-3-18(24)4-8-21/h1-8,10,12H,9,11,13-16H2,(H2,25,26)
InChIKeyMMBAEBVBRVBXOI-UHFFFAOYSA-N
XLogP2.83
TPSA62.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 4-(4-fluorophenyl)-N'-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]piperazine-1-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111821257
4-(4-fluorophenyl)-N'-[2-(4-fluorophenyl)ethyl]piperazine-1-carboximidamide
CID 111025571
4-(4-fluorophenyl)-N'-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]piperazine-1-carboximidamide;hydroiodide
CID 111073884
4-(4-fluorophenyl)-N'-[2-(4-fluorophenyl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111025570
4-(4-fluorophenyl)-N'-[2-(5-methylpyrazin-2-yl)ethyl]piperazine-1-carboximidamide
CID 122098433
1,1-diethyl-2-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]guanidine;hydroiodide
CID 111821247
1-tert-butyl-2-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]guanidine;hydroiodide
CID 111821251
N'-[2-[4-(dimethylamino)phenyl]ethyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide
CID 111089178
4-(4-fluorophenyl)-N'-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carboximidamide
CID 111091252
4-(4-fluorophenyl)-N'-[2-(4-methoxyphenyl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111024115
1,3-diethyl-2-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]guanidine
CID 86777915
N'-[2-(benzimidazol-1-yl)ethyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide
CID 119118212

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N'-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]piperazine-1-carboximidamide?
The IUPAC name of 4-(4-fluorophenyl)-N'-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]piperazine-1-carboximidamide (CID 111821232) is 4-(4-fluorophenyl)-N'-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]piperazine-1-carboximidamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N'-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]piperazine-1-carboximidamide?
The canonical SMILES for 4-(4-fluorophenyl)-N'-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]piperazine-1-carboximidamide is N/C(=N\CCc1ccn(-c2ccc(F)cc2)n1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 4-(4-fluorophenyl)-N'-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]piperazine-1-carboximidamide?
The InChIKey is MMBAEBVBRVBXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N6/c23-17-1-5-20(6-2-17)28-13-15-29(16-14-28)22(25)26-11-9-19-10-12-30(27-19)21-7-3-18(24)4-8-21/h1-8,10,12H,9,11,13-16H2,(H2,25,26).
What are the key properties of 4-(4-fluorophenyl)-N'-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]piperazine-1-carboximidamide?
4-(4-fluorophenyl)-N'-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]piperazine-1-carboximidamide has a molecular weight of 410.47 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N'-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]piperazine-1-carboximidamide is sourced from PubChem (CID 111821232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).