5-(piperidin-3-ylmethyl)-1H-pyrazole-3-carbaldehyde

C10H15N3O — CID 115092869

IUPAC5-(piperidin-3-ylmethyl)-1H-pyrazole-3-carbaldehyde
SMILESO=Cc1cc(CC2CCCNC2)[nH]n1
InChIInChI=1S/C10H15N3O/c14-7-10-5-9(12-13-10)4-8-2-1-3-11-6-8/h5,7-8,11H,1-4,6H2,(H,12,13)
InChIKeyZJGZYMQQAXYKPJ-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.76
Rot. Bonds3

About 5-(piperidin-3-ylmethyl)-1H-pyrazole-3-carbaldehyde

5-(piperidin-3-ylmethyl)-1H-pyrazole-3-carbaldehyde (PubChem CID 115092869) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 5-(piperidin-3-ylmethyl)-1H-pyrazole-3-carbaldehyde.

Molecular Properties

Compound Name5-(piperidin-3-ylmethyl)-1H-pyrazole-3-carbaldehyde
PubChem CID115092869
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name5-(piperidin-3-ylmethyl)-1H-pyrazole-3-carbaldehyde
SMILESO=Cc1cc(CC2CCCNC2)[nH]n1
InChIInChI=1S/C10H15N3O/c14-7-10-5-9(12-13-10)4-8-2-1-3-11-6-8/h5,7-8,11H,1-4,6H2,(H,12,13)
InChIKeyZJGZYMQQAXYKPJ-UHFFFAOYSA-N
XLogP0.76
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(piperidin-3-ylmethyl)-1,2-oxazole-3-carbaldehyde
CID 115094215
5-[(1-methylpyrrolidin-2-yl)methyl]-1H-pyrazole-3-carbaldehyde
CID 115092706
2-(5-methyl-1H-pyrazol-3-yl)-3-[[(3R)-piperidin-3-yl]methyl]pyrazine
CID 124948496
4-methyl-2-(piperidin-3-ylmethyl)benzaldehyde
CID 117309812
(3R)-3-(1H-imidazol-5-ylmethyl)piperidine;dihydrochloride
CID 169426845
2-methyl-4-[[(3R)-piperidin-3-yl]methyl]pyridine
CID 139490801
(3S)-3-[(4-methoxy-3,5-dimethylphenyl)methyl]piperidine
CID 39345701
3-bromo-5-(piperidin-3-ylmethyl)pyridine
CID 104811408
2-bromo-5-[[(3S)-piperidin-3-yl]methyl]pyridine
CID 130804072
3-[(4-cyclobutylphenyl)methyl]piperidine
CID 84793090
5,7-dimethyl-3-(piperidin-3-ylmethyl)quinoline
CID 84635397
3-(piperidin-3-ylmethyl)-1,2-oxazol-5-amine
CID 83846636

Frequently Asked Questions

What is the IUPAC name of 5-(piperidin-3-ylmethyl)-1H-pyrazole-3-carbaldehyde?
The IUPAC name of 5-(piperidin-3-ylmethyl)-1H-pyrazole-3-carbaldehyde (CID 115092869) is 5-(piperidin-3-ylmethyl)-1H-pyrazole-3-carbaldehyde.
What is the SMILES notation for 5-(piperidin-3-ylmethyl)-1H-pyrazole-3-carbaldehyde?
The canonical SMILES for 5-(piperidin-3-ylmethyl)-1H-pyrazole-3-carbaldehyde is O=Cc1cc(CC2CCCNC2)[nH]n1.
What is the InChIKey of 5-(piperidin-3-ylmethyl)-1H-pyrazole-3-carbaldehyde?
The InChIKey is ZJGZYMQQAXYKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c14-7-10-5-9(12-13-10)4-8-2-1-3-11-6-8/h5,7-8,11H,1-4,6H2,(H,12,13).
What are the key properties of 5-(piperidin-3-ylmethyl)-1H-pyrazole-3-carbaldehyde?
5-(piperidin-3-ylmethyl)-1H-pyrazole-3-carbaldehyde has a molecular weight of 193.25 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(piperidin-3-ylmethyl)-1H-pyrazole-3-carbaldehyde is sourced from PubChem (CID 115092869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).