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

C11H10N2O — CID 10511755

IUPAC3-(1-methylpyrazol-3-yl)benzaldehyde
SMILESCn1ccc(-c2cccc(C=O)c2)n1
InChIInChI=1S/C11H10N2O/c1-13-6-5-11(12-13)10-4-2-3-9(7-10)8-14/h2-8H,1H3
InChIKeySSAPUQDWKCUIAR-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.90
Rot. Bonds2

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

3-(1-methylpyrazol-3-yl)benzaldehyde (PubChem CID 10511755) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is 3-(1-methylpyrazol-3-yl)benzaldehyde.

Molecular Properties

Compound Name3-(1-methylpyrazol-3-yl)benzaldehyde
PubChem CID10511755
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name3-(1-methylpyrazol-3-yl)benzaldehyde
SMILESCn1ccc(-c2cccc(C=O)c2)n1
InChIInChI=1S/C11H10N2O/c1-13-6-5-11(12-13)10-4-2-3-9(7-10)8-14/h2-8H,1H3
InChIKeySSAPUQDWKCUIAR-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-3-yl)benzaldehyde?
The IUPAC name of 3-(1-methylpyrazol-3-yl)benzaldehyde (CID 10511755) is 3-(1-methylpyrazol-3-yl)benzaldehyde.
What is the SMILES notation for 3-(1-methylpyrazol-3-yl)benzaldehyde?
The canonical SMILES for 3-(1-methylpyrazol-3-yl)benzaldehyde is Cn1ccc(-c2cccc(C=O)c2)n1.
What is the InChIKey of 3-(1-methylpyrazol-3-yl)benzaldehyde?
The InChIKey is SSAPUQDWKCUIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c1-13-6-5-11(12-13)10-4-2-3-9(7-10)8-14/h2-8H,1H3.
What are the key properties of 3-(1-methylpyrazol-3-yl)benzaldehyde?
3-(1-methylpyrazol-3-yl)benzaldehyde has a molecular weight of 186.21 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-3-yl)benzaldehyde is sourced from PubChem (CID 10511755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).