5-(1,5-dimethylpyrazol-4-yl)-2-methoxybenzaldehyde

C13H14N2O2 — CID 66097421

IUPAC5-(1,5-dimethylpyrazol-4-yl)-2-methoxybenzaldehyde
SMILESCOc1ccc(-c2cnn(C)c2C)cc1C=O
InChIInChI=1S/C13H14N2O2/c1-9-12(7-14-15(9)2)10-4-5-13(17-3)11(6-10)8-16/h4-8H,1-3H3
InChIKeyYDBLHRHVJFFTRT-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.22
Rot. Bonds3

About 5-(1,5-dimethylpyrazol-4-yl)-2-methoxybenzaldehyde

5-(1,5-dimethylpyrazol-4-yl)-2-methoxybenzaldehyde (PubChem CID 66097421) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 5-(1,5-dimethylpyrazol-4-yl)-2-methoxybenzaldehyde.

Molecular Properties

Compound Name5-(1,5-dimethylpyrazol-4-yl)-2-methoxybenzaldehyde
PubChem CID66097421
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name5-(1,5-dimethylpyrazol-4-yl)-2-methoxybenzaldehyde
SMILESCOc1ccc(-c2cnn(C)c2C)cc1C=O
InChIInChI=1S/C13H14N2O2/c1-9-12(7-14-15(9)2)10-4-5-13(17-3)11(6-10)8-16/h4-8H,1-3H3
InChIKeyYDBLHRHVJFFTRT-UHFFFAOYSA-N
XLogP2.22
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1,5-dimethylpyrazol-4-yl)-4,5-dimethoxybenzaldehyde
CID 66098059
2-methoxy-5-(6-methyl-3-pyridinyl)benzaldehyde
CID 63157778
2-methoxy-5-(3-methyl-1-propylpyrazol-4-yl)benzaldehyde
CID 66020620
5-(5-fluoro-2-methoxyphenyl)-2-methoxybenzaldehyde
CID 54910498
5-(2-fluoro-5-methylphenyl)-2-methoxybenzaldehyde
CID 54912704
5-(4-fluoro-2-methoxyphenyl)-2-methoxybenzaldehyde
CID 74891133
2-methoxy-5-(2-methyltetrazol-5-yl)benzaldehyde
CID 10488996
2-methoxy-5-(1-methyl-3-propylpyrazol-4-yl)benzaldehyde
CID 66009536
2-methoxy-5-(1-methyl-4-oxoquinolin-3-yl)benzaldehyde
CID 122365767
5-(2,6-dimethoxyphenyl)-2-methoxybenzaldehyde
CID 116810898
4-(3-fluoro-4-methylphenyl)-1,5-dimethylpyrazole
CID 121385904
5-(1-ethyltetrazol-5-yl)-2-methoxybenzaldehyde
CID 22106604

Frequently Asked Questions

What is the IUPAC name of 5-(1,5-dimethylpyrazol-4-yl)-2-methoxybenzaldehyde?
The IUPAC name of 5-(1,5-dimethylpyrazol-4-yl)-2-methoxybenzaldehyde (CID 66097421) is 5-(1,5-dimethylpyrazol-4-yl)-2-methoxybenzaldehyde.
What is the SMILES notation for 5-(1,5-dimethylpyrazol-4-yl)-2-methoxybenzaldehyde?
The canonical SMILES for 5-(1,5-dimethylpyrazol-4-yl)-2-methoxybenzaldehyde is COc1ccc(-c2cnn(C)c2C)cc1C=O.
What is the InChIKey of 5-(1,5-dimethylpyrazol-4-yl)-2-methoxybenzaldehyde?
The InChIKey is YDBLHRHVJFFTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-9-12(7-14-15(9)2)10-4-5-13(17-3)11(6-10)8-16/h4-8H,1-3H3.
What are the key properties of 5-(1,5-dimethylpyrazol-4-yl)-2-methoxybenzaldehyde?
5-(1,5-dimethylpyrazol-4-yl)-2-methoxybenzaldehyde has a molecular weight of 230.27 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,5-dimethylpyrazol-4-yl)-2-methoxybenzaldehyde is sourced from PubChem (CID 66097421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).