2-(3-fluorophenyl)-1-[[2-methyl-4-(3-methylpyrazol-1-yl)phenyl]methyl]piperazine

C22H25FN4 — CID 166361222

IUPAC2-(3-fluorophenyl)-1-[[2-methyl-4-(3-methylpyrazol-1-yl)phenyl]methyl]piperazine
SMILESCc1ccn(-c2ccc(CN3CCNCC3c3cccc(F)c3)c(C)c2)n1
InChIInChI=1S/C22H25FN4/c1-16-12-21(27-10-8-17(2)25-27)7-6-19(16)15-26-11-9-24-14-22(26)18-4-3-5-20(23)13-18/h3-8,10,12-13,22,24H,9,11,14-15H2,1-2H3
InChIKeyVBNSNMQXZAYIEN-UHFFFAOYSA-N
MW364.47 g/mol
LogP3.77
Rot. Bonds4

About 2-(3-fluorophenyl)-1-[[2-methyl-4-(3-methylpyrazol-1-yl)phenyl]methyl]piperazine

2-(3-fluorophenyl)-1-[[2-methyl-4-(3-methylpyrazol-1-yl)phenyl]methyl]piperazine (PubChem CID 166361222) has the molecular formula C22H25FN4 and a molecular weight of 364.47 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-[[2-methyl-4-(3-methylpyrazol-1-yl)phenyl]methyl]piperazine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-[[2-methyl-4-(3-methylpyrazol-1-yl)phenyl]methyl]piperazine
PubChem CID166361222
Molecular FormulaC22H25FN4
Molecular Weight364.47 g/mol
Exact Mass364.21
IUPAC Name2-(3-fluorophenyl)-1-[[2-methyl-4-(3-methylpyrazol-1-yl)phenyl]methyl]piperazine
SMILESCc1ccn(-c2ccc(CN3CCNCC3c3cccc(F)c3)c(C)c2)n1
InChIInChI=1S/C22H25FN4/c1-16-12-21(27-10-8-17(2)25-27)7-6-19(16)15-26-11-9-24-14-22(26)18-4-3-5-20(23)13-18/h3-8,10,12-13,22,24H,9,11,14-15H2,1-2H3
InChIKeyVBNSNMQXZAYIEN-UHFFFAOYSA-N
XLogP3.77
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-fluorophenyl)-1-[[2-methyl-4-(3-methylpyrazol-1-yl)phenyl]methyl]piperazine 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

2-(3-fluorophenyl)-1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]piperazine
CID 120756617
2-(3-fluorophenyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine;hydrochloride
CID 120768387
1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-(3-fluorophenyl)piperazine
CID 138041241
1-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-2-(3-fluorophenyl)piperazine;hydrochloride
CID 120768691
2-(3-fluorophenyl)-1-(pyridin-4-ylmethyl)piperazine;hydrochloride
CID 120768605
2-(3-fluorophenyl)-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperazine;hydrochloride
CID 120768485
5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole;hydrochloride
CID 120757172
3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-2-methoxyphenol;hydrochloride
CID 120768575
5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 120768560
4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole;hydrochloride
CID 120757064
2-(3-fluorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]piperazine
CID 120768574
4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,3-oxazole
CID 120846511

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-[[2-methyl-4-(3-methylpyrazol-1-yl)phenyl]methyl]piperazine?
The IUPAC name of 2-(3-fluorophenyl)-1-[[2-methyl-4-(3-methylpyrazol-1-yl)phenyl]methyl]piperazine (CID 166361222) is 2-(3-fluorophenyl)-1-[[2-methyl-4-(3-methylpyrazol-1-yl)phenyl]methyl]piperazine.
What is the SMILES notation for 2-(3-fluorophenyl)-1-[[2-methyl-4-(3-methylpyrazol-1-yl)phenyl]methyl]piperazine?
The canonical SMILES for 2-(3-fluorophenyl)-1-[[2-methyl-4-(3-methylpyrazol-1-yl)phenyl]methyl]piperazine is Cc1ccn(-c2ccc(CN3CCNCC3c3cccc(F)c3)c(C)c2)n1.
What is the InChIKey of 2-(3-fluorophenyl)-1-[[2-methyl-4-(3-methylpyrazol-1-yl)phenyl]methyl]piperazine?
The InChIKey is VBNSNMQXZAYIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4/c1-16-12-21(27-10-8-17(2)25-27)7-6-19(16)15-26-11-9-24-14-22(26)18-4-3-5-20(23)13-18/h3-8,10,12-13,22,24H,9,11,14-15H2,1-2H3.
What are the key properties of 2-(3-fluorophenyl)-1-[[2-methyl-4-(3-methylpyrazol-1-yl)phenyl]methyl]piperazine?
2-(3-fluorophenyl)-1-[[2-methyl-4-(3-methylpyrazol-1-yl)phenyl]methyl]piperazine has a molecular weight of 364.47 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-[[2-methyl-4-(3-methylpyrazol-1-yl)phenyl]methyl]piperazine is sourced from PubChem (CID 166361222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).