1-[(3-fluorophenyl)methyl]-4-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperazine

C22H25FN4 — CID 56885373

IUPAC1-[(3-fluorophenyl)methyl]-4-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperazine
SMILESCc1nn(-c2ccccc2)cc1CN1CCN(Cc2cccc(F)c2)CC1
InChIInChI=1S/C22H25FN4/c1-18-20(17-27(24-18)22-8-3-2-4-9-22)16-26-12-10-25(11-13-26)15-19-6-5-7-21(23)14-19/h2-9,14,17H,10-13,15-16H2,1H3
InChIKeyAHWMRBKACNICCN-UHFFFAOYSA-N
MW364.47 g/mol
LogP3.64
Rot. Bonds5

About 1-[(3-fluorophenyl)methyl]-4-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperazine

1-[(3-fluorophenyl)methyl]-4-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperazine (PubChem CID 56885373) has the molecular formula C22H25FN4 and a molecular weight of 364.47 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-4-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-4-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperazine
PubChem CID56885373
Molecular FormulaC22H25FN4
Molecular Weight364.47 g/mol
Exact Mass364.21
IUPAC Name1-[(3-fluorophenyl)methyl]-4-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperazine
SMILESCc1nn(-c2ccccc2)cc1CN1CCN(Cc2cccc(F)c2)CC1
InChIInChI=1S/C22H25FN4/c1-18-20(17-27(24-18)22-8-3-2-4-9-22)16-26-12-10-25(11-13-26)15-19-6-5-7-21(23)14-19/h2-9,14,17H,10-13,15-16H2,1H3
InChIKeyAHWMRBKACNICCN-UHFFFAOYSA-N
XLogP3.64
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-4-[(3-fluorophenyl)methyl]piperazine
CID 764596
1-[(2-methoxyphenyl)methyl]-4-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperazine
CID 77082596
[1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methanol
CID 84617796
1-[(3-fluorophenyl)methyl]-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine
CID 56895511
1-[(3-fluorophenyl)methyl]-4-[(3-pyrazol-1-ylphenyl)methyl]piperazine
CID 56897722
7-fluoro-1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-3,5-dihydro-2H-1,5-benzodiazepin-4-one
CID 126805078
4-[1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]pyridine
CID 77091492
1-[(3-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine
CID 828709
1-[(3-fluorophenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazine
CID 46998417
5-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-phenylpyrimidine
CID 56909083
1-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[(3-fluorophenyl)methyl]piperazine
CID 90507425
1-[(3-chlorophenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazine
CID 3133648

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-4-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperazine?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-4-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperazine (CID 56885373) is 1-[(3-fluorophenyl)methyl]-4-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperazine.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-4-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperazine?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-4-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperazine is Cc1nn(-c2ccccc2)cc1CN1CCN(Cc2cccc(F)c2)CC1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-4-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperazine?
The InChIKey is AHWMRBKACNICCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4/c1-18-20(17-27(24-18)22-8-3-2-4-9-22)16-26-12-10-25(11-13-26)15-19-6-5-7-21(23)14-19/h2-9,14,17H,10-13,15-16H2,1H3.
What are the key properties of 1-[(3-fluorophenyl)methyl]-4-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperazine?
1-[(3-fluorophenyl)methyl]-4-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperazine has a molecular weight of 364.47 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-4-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperazine is sourced from PubChem (CID 56885373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).