[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-(1H-pyrazol-5-yl)methanone

C17H20FN5O — CID 126892861

IUPAC[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-(1H-pyrazol-5-yl)methanone
SMILESO=C(c1ccn[nH]1)N1CC(N2CCN(c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C17H20FN5O/c18-13-1-3-14(4-2-13)21-7-9-22(10-8-21)15-11-23(12-15)17(24)16-5-6-19-20-16/h1-6,15H,7-12H2,(H,19,20)
InChIKeyRBNDXXWNPFVONV-UHFFFAOYSA-N
MW329.38 g/mol
LogP1.20
Rot. Bonds3

About [3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-(1H-pyrazol-5-yl)methanone

[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-(1H-pyrazol-5-yl)methanone (PubChem CID 126892861) has the molecular formula C17H20FN5O and a molecular weight of 329.38 g/mol. Its IUPAC name is [3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-(1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-(1H-pyrazol-5-yl)methanone
PubChem CID126892861
Molecular FormulaC17H20FN5O
Molecular Weight329.38 g/mol
Exact Mass329.17
IUPAC Name[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-(1H-pyrazol-5-yl)methanone
SMILESO=C(c1ccn[nH]1)N1CC(N2CCN(c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C17H20FN5O/c18-13-1-3-14(4-2-13)21-7-9-22(10-8-21)15-11-23(12-15)17(24)16-5-6-19-20-16/h1-6,15H,7-12H2,(H,19,20)
InChIKeyRBNDXXWNPFVONV-UHFFFAOYSA-N
XLogP1.20
TPSA55.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-(1H-pyrazol-5-yl)methanone
CID 70758686
[4-(4-methylphenyl)piperazin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 171622128
[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 126892876
[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 126892826
[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 126892840
1H-pyrazol-5-yl-(3-pyrazol-1-ylazetidin-1-yl)methanone
CID 126900110
[(3S)-3-hydroxypyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 79029409
[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 24790572
2-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]pyrimidine
CID 126892915
3,3,3-trifluoro-1-[(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]propan-1-one
CID 25288759
1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl(1H-pyrazol-5-yl)methanone
CID 131643393
cyclobutyl-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 92986014

Frequently Asked Questions

What is the IUPAC name of [3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The IUPAC name of [3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-(1H-pyrazol-5-yl)methanone (CID 126892861) is [3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-(1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The canonical SMILES for [3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-(1H-pyrazol-5-yl)methanone is O=C(c1ccn[nH]1)N1CC(N2CCN(c3ccc(F)cc3)CC2)C1.
What is the InChIKey of [3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The InChIKey is RBNDXXWNPFVONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5O/c18-13-1-3-14(4-2-13)21-7-9-22(10-8-21)15-11-23(12-15)17(24)16-5-6-19-20-16/h1-6,15H,7-12H2,(H,19,20).
What are the key properties of [3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-(1H-pyrazol-5-yl)methanone?
[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-(1H-pyrazol-5-yl)methanone has a molecular weight of 329.38 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-(1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 126892861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).