1-[4-[3-[3-(fluoromethyl)phenyl]-1H-pyrazol-5-yl]phenyl]-4-methylpiperazine

C21H23FN4 — CID 153409891

IUPAC1-[4-[3-[3-(fluoromethyl)phenyl]-1H-pyrazol-5-yl]phenyl]-4-methylpiperazine
SMILESCN1CCN(c2ccc(-c3cc(-c4cccc(CF)c4)n[nH]3)cc2)CC1
InChIInChI=1S/C21H23FN4/c1-25-9-11-26(12-10-25)19-7-5-17(6-8-19)20-14-21(24-23-20)18-4-2-3-16(13-18)15-22/h2-8,13-14H,9-12,15H2,1H3,(H,23,24)
InChIKeyFAXSFRHIJPUDAJ-UHFFFAOYSA-N
MW350.44 g/mol
LogP3.96
Rot. Bonds4

About 1-[4-[3-[3-(fluoromethyl)phenyl]-1H-pyrazol-5-yl]phenyl]-4-methylpiperazine

1-[4-[3-[3-(fluoromethyl)phenyl]-1H-pyrazol-5-yl]phenyl]-4-methylpiperazine (PubChem CID 153409891) has the molecular formula C21H23FN4 and a molecular weight of 350.44 g/mol. Its IUPAC name is 1-[4-[3-[3-(fluoromethyl)phenyl]-1H-pyrazol-5-yl]phenyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[4-[3-[3-(fluoromethyl)phenyl]-1H-pyrazol-5-yl]phenyl]-4-methylpiperazine
PubChem CID153409891
Molecular FormulaC21H23FN4
Molecular Weight350.44 g/mol
Exact Mass350.19
IUPAC Name1-[4-[3-[3-(fluoromethyl)phenyl]-1H-pyrazol-5-yl]phenyl]-4-methylpiperazine
SMILESCN1CCN(c2ccc(-c3cc(-c4cccc(CF)c4)n[nH]3)cc2)CC1
InChIInChI=1S/C21H23FN4/c1-25-9-11-26(12-10-25)19-7-5-17(6-8-19)20-14-21(24-23-20)18-4-2-3-16(13-18)15-22/h2-8,13-14H,9-12,15H2,1H3,(H,23,24)
InChIKeyFAXSFRHIJPUDAJ-UHFFFAOYSA-N
XLogP3.96
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-[3-[3-(fluoromethyl)phenyl]-1H-pyrazol-5-yl]phenyl]-4-methylpiperazine 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

1-[4-[3-[3-(fluoromethoxy)phenyl]-1H-pyrazol-5-yl]phenyl]-4-methylpiperazine
CID 153409935
1-methyl-4-[4-[3-(3-phenylphenyl)-1H-pyrazol-5-yl]phenyl]piperazine
CID 175397594
ethane;5-(4-pyrrolidin-1-ylphenyl)-3-[3-[5-(4-pyrrolidin-1-ylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole
CID 144833651
2-[[hydroxy-[3-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-3-yl]phenyl]methyl]amino]propan-1-ol
CID 123865065
3-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-3-yl]-N-(oxan-4-yl)benzamide
CID 66898425
6-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-5-yl]pyridine-2-carboxylic acid
CID 66889608
N'-[4-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-5-yl]phenyl]-N-(2-phenylethyl)butanediamide
CID 11706503
1-methyl-4-[3-(2H-triazol-4-yl)phenyl]piperazine
CID 175938497
2-methyl-5-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-3-yl]-N-propan-2-ylbenzamide
CID 66889875
N,N-dimethyl-1-[3-[3-[4-(4-methylpiperazin-1-yl)phenyl]-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]methanamine
CID 145492462
benzyl-[4-[3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-pyrazol-5-yl]phenyl]carbamic acid
CID 70654869
3-[3-(fluoromethyl)phenyl]-1-methylpyrazol-5-amine
CID 117293427

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[3-(fluoromethyl)phenyl]-1H-pyrazol-5-yl]phenyl]-4-methylpiperazine?
The IUPAC name of 1-[4-[3-[3-(fluoromethyl)phenyl]-1H-pyrazol-5-yl]phenyl]-4-methylpiperazine (CID 153409891) is 1-[4-[3-[3-(fluoromethyl)phenyl]-1H-pyrazol-5-yl]phenyl]-4-methylpiperazine.
What is the SMILES notation for 1-[4-[3-[3-(fluoromethyl)phenyl]-1H-pyrazol-5-yl]phenyl]-4-methylpiperazine?
The canonical SMILES for 1-[4-[3-[3-(fluoromethyl)phenyl]-1H-pyrazol-5-yl]phenyl]-4-methylpiperazine is CN1CCN(c2ccc(-c3cc(-c4cccc(CF)c4)n[nH]3)cc2)CC1.
What is the InChIKey of 1-[4-[3-[3-(fluoromethyl)phenyl]-1H-pyrazol-5-yl]phenyl]-4-methylpiperazine?
The InChIKey is FAXSFRHIJPUDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4/c1-25-9-11-26(12-10-25)19-7-5-17(6-8-19)20-14-21(24-23-20)18-4-2-3-16(13-18)15-22/h2-8,13-14H,9-12,15H2,1H3,(H,23,24).
What are the key properties of 1-[4-[3-[3-(fluoromethyl)phenyl]-1H-pyrazol-5-yl]phenyl]-4-methylpiperazine?
1-[4-[3-[3-(fluoromethyl)phenyl]-1H-pyrazol-5-yl]phenyl]-4-methylpiperazine has a molecular weight of 350.44 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-[3-(fluoromethyl)phenyl]-1H-pyrazol-5-yl]phenyl]-4-methylpiperazine is sourced from PubChem (CID 153409891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).