1-[(4-pyrazol-1-ylphenyl)methyl]piperidine-3-carbaldehyde

C16H19N3O — CID 62660628

IUPAC1-[(4-pyrazol-1-ylphenyl)methyl]piperidine-3-carbaldehyde
SMILESO=CC1CCCN(Cc2ccc(-n3cccn3)cc2)C1
InChIInChI=1S/C16H19N3O/c20-13-15-3-1-9-18(12-15)11-14-4-6-16(7-5-14)19-10-2-8-17-19/h2,4-8,10,13,15H,1,3,9,11-12H2
InChIKeyVARZZWWGDRJTGL-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.28
Rot. Bonds4

About 1-[(4-pyrazol-1-ylphenyl)methyl]piperidine-3-carbaldehyde

1-[(4-pyrazol-1-ylphenyl)methyl]piperidine-3-carbaldehyde (PubChem CID 62660628) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 1-[(4-pyrazol-1-ylphenyl)methyl]piperidine-3-carbaldehyde.

Molecular Properties

Compound Name1-[(4-pyrazol-1-ylphenyl)methyl]piperidine-3-carbaldehyde
PubChem CID62660628
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name1-[(4-pyrazol-1-ylphenyl)methyl]piperidine-3-carbaldehyde
SMILESO=CC1CCCN(Cc2ccc(-n3cccn3)cc2)C1
InChIInChI=1S/C16H19N3O/c20-13-15-3-1-9-18(12-15)11-14-4-6-16(7-5-14)19-10-2-8-17-19/h2,4-8,10,13,15H,1,3,9,11-12H2
InChIKeyVARZZWWGDRJTGL-UHFFFAOYSA-N
XLogP2.28
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R)-1-benzylpiperidine-3-carbaldehyde
CID 86316318
(3R)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-ol
CID 63365329
3-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-ol
CID 114681410
1-benzylazepane-3-carbaldehyde
CID 83910081
1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119917477
1-(pyrimidin-2-ylmethyl)piperidine-3-carbaldehyde
CID 62698844
3-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-amine
CID 79868378
3-phenyl-N-[[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]methyl]propanamide
CID 45208830
2-[(2R)-1-cyclohexyl-4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-2-yl]ethanol
CID 51635497
[1-[[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanol
CID 45209928
4-[(4-pyrazol-1-ylphenyl)methyl]-1,4-thiazinane 1,1-dioxide
CID 2738459
1-(1,2-oxazol-4-ylmethyl)piperidine-3-carbaldehyde
CID 62654197

Frequently Asked Questions

What is the IUPAC name of 1-[(4-pyrazol-1-ylphenyl)methyl]piperidine-3-carbaldehyde?
The IUPAC name of 1-[(4-pyrazol-1-ylphenyl)methyl]piperidine-3-carbaldehyde (CID 62660628) is 1-[(4-pyrazol-1-ylphenyl)methyl]piperidine-3-carbaldehyde.
What is the SMILES notation for 1-[(4-pyrazol-1-ylphenyl)methyl]piperidine-3-carbaldehyde?
The canonical SMILES for 1-[(4-pyrazol-1-ylphenyl)methyl]piperidine-3-carbaldehyde is O=CC1CCCN(Cc2ccc(-n3cccn3)cc2)C1.
What is the InChIKey of 1-[(4-pyrazol-1-ylphenyl)methyl]piperidine-3-carbaldehyde?
The InChIKey is VARZZWWGDRJTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c20-13-15-3-1-9-18(12-15)11-14-4-6-16(7-5-14)19-10-2-8-17-19/h2,4-8,10,13,15H,1,3,9,11-12H2.
What are the key properties of 1-[(4-pyrazol-1-ylphenyl)methyl]piperidine-3-carbaldehyde?
1-[(4-pyrazol-1-ylphenyl)methyl]piperidine-3-carbaldehyde has a molecular weight of 269.35 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-pyrazol-1-ylphenyl)methyl]piperidine-3-carbaldehyde is sourced from PubChem (CID 62660628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).