3-[(5-methyl-1H-pyrazol-4-yl)oxy]benzaldehyde

C11H10N2O2 — CID 115022509

IUPAC3-[(5-methyl-1H-pyrazol-4-yl)oxy]benzaldehyde
SMILESCc1[nH]ncc1Oc1cccc(C=O)c1
InChIInChI=1S/C11H10N2O2/c1-8-11(6-12-13-8)15-10-4-2-3-9(5-10)7-14/h2-7H,1H3,(H,12,13)
InChIKeyOVMQLLVIIMIOHI-UHFFFAOYSA-N
MW202.21 g/mol
LogP2.32
Rot. Bonds3

About 3-[(5-methyl-1H-pyrazol-4-yl)oxy]benzaldehyde

3-[(5-methyl-1H-pyrazol-4-yl)oxy]benzaldehyde (PubChem CID 115022509) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 3-[(5-methyl-1H-pyrazol-4-yl)oxy]benzaldehyde.

Molecular Properties

Compound Name3-[(5-methyl-1H-pyrazol-4-yl)oxy]benzaldehyde
PubChem CID115022509
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name3-[(5-methyl-1H-pyrazol-4-yl)oxy]benzaldehyde
SMILESCc1[nH]ncc1Oc1cccc(C=O)c1
InChIInChI=1S/C11H10N2O2/c1-8-11(6-12-13-8)15-10-4-2-3-9(5-10)7-14/h2-7H,1H3,(H,12,13)
InChIKeyOVMQLLVIIMIOHI-UHFFFAOYSA-N
XLogP2.32
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 52.32
H-Bond Donors ≤ 51
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-[(5-methyl-1H-pyrazol-4-yl)oxy]benzaldehyde?
The IUPAC name of 3-[(5-methyl-1H-pyrazol-4-yl)oxy]benzaldehyde (CID 115022509) is 3-[(5-methyl-1H-pyrazol-4-yl)oxy]benzaldehyde.
What is the SMILES notation for 3-[(5-methyl-1H-pyrazol-4-yl)oxy]benzaldehyde?
The canonical SMILES for 3-[(5-methyl-1H-pyrazol-4-yl)oxy]benzaldehyde is Cc1[nH]ncc1Oc1cccc(C=O)c1.
What is the InChIKey of 3-[(5-methyl-1H-pyrazol-4-yl)oxy]benzaldehyde?
The InChIKey is OVMQLLVIIMIOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-8-11(6-12-13-8)15-10-4-2-3-9(5-10)7-14/h2-7H,1H3,(H,12,13).
What are the key properties of 3-[(5-methyl-1H-pyrazol-4-yl)oxy]benzaldehyde?
3-[(5-methyl-1H-pyrazol-4-yl)oxy]benzaldehyde has a molecular weight of 202.21 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-1H-pyrazol-4-yl)oxy]benzaldehyde is sourced from PubChem (CID 115022509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).