2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyrazol-1-ylacetaldehyde

C15H17FN4O — CID 87610196

IUPAC2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyrazol-1-ylacetaldehyde
SMILESO=CC(N1CCN(c2ccc(F)cc2)CC1)n1cccn1
InChIInChI=1S/C15H17FN4O/c16-13-2-4-14(5-3-13)18-8-10-19(11-9-18)15(12-21)20-7-1-6-17-20/h1-7,12,15H,8-11H2
InChIKeyDHFUNSIHIPPRKL-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.54
Rot. Bonds4

About 2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyrazol-1-ylacetaldehyde

2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyrazol-1-ylacetaldehyde (PubChem CID 87610196) has the molecular formula C15H17FN4O and a molecular weight of 288.33 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyrazol-1-ylacetaldehyde.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyrazol-1-ylacetaldehyde
PubChem CID87610196
Molecular FormulaC15H17FN4O
Molecular Weight288.33 g/mol
Exact Mass288.14
IUPAC Name2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyrazol-1-ylacetaldehyde
SMILESO=CC(N1CCN(c2ccc(F)cc2)CC1)n1cccn1
InChIInChI=1S/C15H17FN4O/c16-13-2-4-14(5-3-13)18-8-10-19(11-9-18)15(12-21)20-7-1-6-17-20/h1-7,12,15H,8-11H2
InChIKeyDHFUNSIHIPPRKL-UHFFFAOYSA-N
XLogP1.54
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(3-methylpyrazol-1-yl)acetaldehyde
CID 87951618
2-[4-chloro-5-(4-fluorophenyl)-3-methylsulfanylpyrazol-1-yl]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetaldehyde
CID 87951694
4-[4-(4-fluorophenyl)piperazin-1-yl]benzaldehyde
CID 28603665
ethane;1-(4-fluorophenyl)-4-propan-2-ylpiperazine
CID 144656780
(2S)-2-(4-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetic acid
CID 97135011
(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-thiophen-2-ylacetic acid
CID 86309571
1-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one
CID 70733976
1-(4-fluorophenyl)-4-sulfanylpiperazine
CID 123797629
2-[4-(4-chlorophenyl)piperazin-1-yl]-2-(4-fluorophenyl)acetic acid
CID 75365752
(2S)-2-[4-(4-chlorophenyl)piperazin-1-yl]-2-(4-fluorophenyl)acetic acid
CID 97135003
1-(2,2-diphenylethyl)-4-(4-fluorophenyl)piperazine
CID 1376189
3-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylbutan-1-amine
CID 79414716

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyrazol-1-ylacetaldehyde?
The IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyrazol-1-ylacetaldehyde (CID 87610196) is 2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyrazol-1-ylacetaldehyde.
What is the SMILES notation for 2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyrazol-1-ylacetaldehyde?
The canonical SMILES for 2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyrazol-1-ylacetaldehyde is O=CC(N1CCN(c2ccc(F)cc2)CC1)n1cccn1.
What is the InChIKey of 2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyrazol-1-ylacetaldehyde?
The InChIKey is DHFUNSIHIPPRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O/c16-13-2-4-14(5-3-13)18-8-10-19(11-9-18)15(12-21)20-7-1-6-17-20/h1-7,12,15H,8-11H2.
What are the key properties of 2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyrazol-1-ylacetaldehyde?
2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyrazol-1-ylacetaldehyde has a molecular weight of 288.33 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyrazol-1-ylacetaldehyde is sourced from PubChem (CID 87610196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).