3-(5-methylpyrazol-1-yl)benzaldehyde

C11H10N2O — CID 121219228

IUPAC3-(5-methylpyrazol-1-yl)benzaldehyde
SMILESCc1ccnn1-c1cccc(C=O)c1
InChIInChI=1S/C11H10N2O/c1-9-5-6-12-13(9)11-4-2-3-10(7-11)8-14/h2-8H,1H3
InChIKeyAQCNORBNEFWEQE-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.99
Rot. Bonds2

About 3-(5-methylpyrazol-1-yl)benzaldehyde

3-(5-methylpyrazol-1-yl)benzaldehyde (PubChem CID 121219228) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is 3-(5-methylpyrazol-1-yl)benzaldehyde.

Molecular Properties

Compound Name3-(5-methylpyrazol-1-yl)benzaldehyde
PubChem CID121219228
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name3-(5-methylpyrazol-1-yl)benzaldehyde
SMILESCc1ccnn1-c1cccc(C=O)c1
InChIInChI=1S/C11H10N2O/c1-9-5-6-12-13(9)11-4-2-3-10(7-11)8-14/h2-8H,1H3
InChIKeyAQCNORBNEFWEQE-UHFFFAOYSA-N
XLogP1.99
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(5-methylpyrazol-1-yl)benzaldehyde
CID 105442092
3-(3,5-dimethylpyrazol-1-yl)benzaldehyde;hydrochloride
CID 46735947
4-hydroxy-3-(5-methylpyrazol-1-yl)benzaldehyde
CID 71743905
3-(5-methylpyrazol-1-yl)aniline
CID 43154912
6-(5-methylpyrazol-1-yl)pyridine-3-carbaldehyde
CID 164762774
3-(3-methylindazol-1-yl)benzaldehyde
CID 105497706
3-bromo-5-(5-methylpyrazol-1-yl)aniline
CID 156812346
benzene-1,3-dicarbaldehyde;ethane
CID 91375977
5-methyl-1-(4-methylphenyl)pyrazole
CID 53302146
3-(6-hydroxyindazol-1-yl)benzaldehyde
CID 136917932
3-(4-propan-2-ylpyrazol-1-yl)benzaldehyde
CID 84783446
3-(3-methylazetidin-1-yl)benzaldehyde
CID 106913682

Frequently Asked Questions

What is the IUPAC name of 3-(5-methylpyrazol-1-yl)benzaldehyde?
The IUPAC name of 3-(5-methylpyrazol-1-yl)benzaldehyde (CID 121219228) is 3-(5-methylpyrazol-1-yl)benzaldehyde.
What is the SMILES notation for 3-(5-methylpyrazol-1-yl)benzaldehyde?
The canonical SMILES for 3-(5-methylpyrazol-1-yl)benzaldehyde is Cc1ccnn1-c1cccc(C=O)c1.
What is the InChIKey of 3-(5-methylpyrazol-1-yl)benzaldehyde?
The InChIKey is AQCNORBNEFWEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c1-9-5-6-12-13(9)11-4-2-3-10(7-11)8-14/h2-8H,1H3.
What are the key properties of 3-(5-methylpyrazol-1-yl)benzaldehyde?
3-(5-methylpyrazol-1-yl)benzaldehyde has a molecular weight of 186.21 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylpyrazol-1-yl)benzaldehyde is sourced from PubChem (CID 121219228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).