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

C18H24FN5 — CID 126893111

IUPAC1-(4-fluorophenyl)-4-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]azetidin-3-yl]piperazine
SMILESCc1cc(CN2CC(N3CCN(c4ccc(F)cc4)CC3)C2)n[nH]1
InChIInChI=1S/C18H24FN5/c1-14-10-16(21-20-14)11-22-12-18(13-22)24-8-6-23(7-9-24)17-4-2-15(19)3-5-17/h2-5,10,18H,6-9,11-13H2,1H3,(H,20,21)
InChIKeyQBSXSMFOQKBJCK-UHFFFAOYSA-N
MW329.42 g/mol
LogP1.86
Rot. Bonds4

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

1-(4-fluorophenyl)-4-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]azetidin-3-yl]piperazine (PubChem CID 126893111) has the molecular formula C18H24FN5 and a molecular weight of 329.42 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]azetidin-3-yl]piperazine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]azetidin-3-yl]piperazine
PubChem CID126893111
Molecular FormulaC18H24FN5
Molecular Weight329.42 g/mol
Exact Mass329.20
IUPAC Name1-(4-fluorophenyl)-4-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]azetidin-3-yl]piperazine
SMILESCc1cc(CN2CC(N3CCN(c4ccc(F)cc4)CC3)C2)n[nH]1
InChIInChI=1S/C18H24FN5/c1-14-10-16(21-20-14)11-22-12-18(13-22)24-8-6-23(7-9-24)17-4-2-15(19)3-5-17/h2-5,10,18H,6-9,11-13H2,1H3,(H,20,21)
InChIKeyQBSXSMFOQKBJCK-UHFFFAOYSA-N
XLogP1.86
TPSA38.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]-4-methyl-1,2,5-oxadiazole
CID 126893053
4-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 126892942
2-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 126893085
5-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 126893073
(3S,4R)-1-[(4-fluorophenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol
CID 135097101
2-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-4,6-dimethylpyrimidine
CID 126892916
5-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]-1-methylpyridin-2-one
CID 126893048
5-cyclopropyl-2-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]-1,3-oxazole
CID 126893083
1-[(3-fluorophenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazine
CID 46998417
4-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-6-methylpyrimidine
CID 126892964
5-methyl-3-(pyrrolidin-1-ylmethyl)-1H-pyrazole
CID 126990232
1-(4-fluorophenyl)-4-[1-[(5-methylfuran-2-yl)methyl]piperidin-3-yl]piperazine
CID 45167770

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]azetidin-3-yl]piperazine?
The IUPAC name of 1-(4-fluorophenyl)-4-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]azetidin-3-yl]piperazine (CID 126893111) is 1-(4-fluorophenyl)-4-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]azetidin-3-yl]piperazine.
What is the SMILES notation for 1-(4-fluorophenyl)-4-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]azetidin-3-yl]piperazine?
The canonical SMILES for 1-(4-fluorophenyl)-4-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]azetidin-3-yl]piperazine is Cc1cc(CN2CC(N3CCN(c4ccc(F)cc4)CC3)C2)n[nH]1.
What is the InChIKey of 1-(4-fluorophenyl)-4-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]azetidin-3-yl]piperazine?
The InChIKey is QBSXSMFOQKBJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN5/c1-14-10-16(21-20-14)11-22-12-18(13-22)24-8-6-23(7-9-24)17-4-2-15(19)3-5-17/h2-5,10,18H,6-9,11-13H2,1H3,(H,20,21).
What are the key properties of 1-(4-fluorophenyl)-4-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]azetidin-3-yl]piperazine?
1-(4-fluorophenyl)-4-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]azetidin-3-yl]piperazine has a molecular weight of 329.42 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]azetidin-3-yl]piperazine is sourced from PubChem (CID 126893111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).