1-[(3-fluorophenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazine

C16H21FN4 — CID 46998417

IUPAC1-[(3-fluorophenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazine
SMILESCc1cc(CN2CCN(Cc3cccc(F)c3)CC2)n[nH]1
InChIInChI=1S/C16H21FN4/c1-13-9-16(19-18-13)12-21-7-5-20(6-8-21)11-14-3-2-4-15(17)10-14/h2-4,9-10H,5-8,11-12H2,1H3,(H,18,19)
InChIKeyJKTLDOPXWSNFNR-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.18
Rot. Bonds4

About 1-[(3-fluorophenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazine

1-[(3-fluorophenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazine (PubChem CID 46998417) has the molecular formula C16H21FN4 and a molecular weight of 288.37 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazine
PubChem CID46998417
Molecular FormulaC16H21FN4
Molecular Weight288.37 g/mol
Exact Mass288.18
IUPAC Name1-[(3-fluorophenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazine
SMILESCc1cc(CN2CCN(Cc3cccc(F)c3)CC2)n[nH]1
InChIInChI=1S/C16H21FN4/c1-13-9-16(19-18-13)12-21-7-5-20(6-8-21)11-14-3-2-4-15(17)10-14/h2-4,9-10H,5-8,11-12H2,1H3,(H,18,19)
InChIKeyJKTLDOPXWSNFNR-UHFFFAOYSA-N
XLogP2.18
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[(3-fluorophenyl)methyl]piperazine
CID 90507425
1-[(3-fluorophenyl)methyl]-4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazine
CID 127265450
5-methyl-3-(pyrrolidin-1-ylmethyl)-1H-pyrazole
CID 126990232
1-benzyl-4-[(3-fluorophenyl)methyl]piperazine
CID 764596
ethane;5-methyl-3-(pyrrolidin-1-ylmethyl)-1H-pyrazole
CID 142930412
1-[(3-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine
CID 828709
1-[[1-[(3-fluorophenyl)methyl]triazol-4-yl]methyl]-4-[(3-methylphenyl)methyl]piperazine
CID 155804078
4-[[4-[(3-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]-2-methyl-1,3-oxazole
CID 56906436
1-[(3-fluorophenyl)methyl]piperazine;dihydrochloride
CID 53422102
1-[(3-chlorophenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazine
CID 3133648
1-[(3-fluorophenyl)methyl]-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine
CID 56895511
1-[(3-fluorophenyl)methyl]-4-(2-methoxyethyl)piperazine
CID 121458782

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazine?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazine (CID 46998417) is 1-[(3-fluorophenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazine.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazine?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazine is Cc1cc(CN2CCN(Cc3cccc(F)c3)CC2)n[nH]1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazine?
The InChIKey is JKTLDOPXWSNFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4/c1-13-9-16(19-18-13)12-21-7-5-20(6-8-21)11-14-3-2-4-15(17)10-14/h2-4,9-10H,5-8,11-12H2,1H3,(H,18,19).
What are the key properties of 1-[(3-fluorophenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazine?
1-[(3-fluorophenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazine has a molecular weight of 288.37 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazine is sourced from PubChem (CID 46998417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).