4-methyl-5-phenyl-1-pyridin-3-ylpyrazole-3-carbaldehyde

C16H13N3O — CID 89135217

IUPAC4-methyl-5-phenyl-1-pyridin-3-ylpyrazole-3-carbaldehyde
SMILESCc1c(C=O)nn(-c2cccnc2)c1-c1ccccc1
InChIInChI=1S/C16H13N3O/c1-12-15(11-20)18-19(14-8-5-9-17-10-14)16(12)13-6-3-2-4-7-13/h2-11H,1H3
InChIKeyYKKFJJHCHOOZKJ-UHFFFAOYSA-N
MW263.30 g/mol
LogP3.06
Rot. Bonds3

About 4-methyl-5-phenyl-1-pyridin-3-ylpyrazole-3-carbaldehyde

4-methyl-5-phenyl-1-pyridin-3-ylpyrazole-3-carbaldehyde (PubChem CID 89135217) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is 4-methyl-5-phenyl-1-pyridin-3-ylpyrazole-3-carbaldehyde.

Molecular Properties

Compound Name4-methyl-5-phenyl-1-pyridin-3-ylpyrazole-3-carbaldehyde
PubChem CID89135217
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC Name4-methyl-5-phenyl-1-pyridin-3-ylpyrazole-3-carbaldehyde
SMILESCc1c(C=O)nn(-c2cccnc2)c1-c1ccccc1
InChIInChI=1S/C16H13N3O/c1-12-15(11-20)18-19(14-8-5-9-17-10-14)16(12)13-6-3-2-4-7-13/h2-11H,1H3
InChIKeyYKKFJJHCHOOZKJ-UHFFFAOYSA-N
XLogP3.06
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-phenyl-1-pyridin-3-ylpyrazole-3-carbaldehyde?
The IUPAC name of 4-methyl-5-phenyl-1-pyridin-3-ylpyrazole-3-carbaldehyde (CID 89135217) is 4-methyl-5-phenyl-1-pyridin-3-ylpyrazole-3-carbaldehyde.
What is the SMILES notation for 4-methyl-5-phenyl-1-pyridin-3-ylpyrazole-3-carbaldehyde?
The canonical SMILES for 4-methyl-5-phenyl-1-pyridin-3-ylpyrazole-3-carbaldehyde is Cc1c(C=O)nn(-c2cccnc2)c1-c1ccccc1.
What is the InChIKey of 4-methyl-5-phenyl-1-pyridin-3-ylpyrazole-3-carbaldehyde?
The InChIKey is YKKFJJHCHOOZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O/c1-12-15(11-20)18-19(14-8-5-9-17-10-14)16(12)13-6-3-2-4-7-13/h2-11H,1H3.
What are the key properties of 4-methyl-5-phenyl-1-pyridin-3-ylpyrazole-3-carbaldehyde?
4-methyl-5-phenyl-1-pyridin-3-ylpyrazole-3-carbaldehyde has a molecular weight of 263.30 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-phenyl-1-pyridin-3-ylpyrazole-3-carbaldehyde is sourced from PubChem (CID 89135217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).