4-methoxy-3-(1,3,5-trimethylpyrazol-4-yl)benzaldehyde

C14H16N2O2 — CID 82039757

IUPAC4-methoxy-3-(1,3,5-trimethylpyrazol-4-yl)benzaldehyde
SMILESCOc1ccc(C=O)cc1-c1c(C)nn(C)c1C
InChIInChI=1S/C14H16N2O2/c1-9-14(10(2)16(3)15-9)12-7-11(8-17)5-6-13(12)18-4/h5-8H,1-4H3
InChIKeyJCTQVNJOQKUHOA-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.53
Rot. Bonds3

About 4-methoxy-3-(1,3,5-trimethylpyrazol-4-yl)benzaldehyde

4-methoxy-3-(1,3,5-trimethylpyrazol-4-yl)benzaldehyde (PubChem CID 82039757) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-methoxy-3-(1,3,5-trimethylpyrazol-4-yl)benzaldehyde.

Molecular Properties

Compound Name4-methoxy-3-(1,3,5-trimethylpyrazol-4-yl)benzaldehyde
PubChem CID82039757
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name4-methoxy-3-(1,3,5-trimethylpyrazol-4-yl)benzaldehyde
SMILESCOc1ccc(C=O)cc1-c1c(C)nn(C)c1C
InChIInChI=1S/C14H16N2O2/c1-9-14(10(2)16(3)15-9)12-7-11(8-17)5-6-13(12)18-4/h5-8H,1-4H3
InChIKeyJCTQVNJOQKUHOA-UHFFFAOYSA-N
XLogP2.53
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.53
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

4-fluoro-3-(1,3,5-trimethylpyrazol-4-yl)benzaldehyde
CID 54910083
3-chloro-4-(1,3,5-trimethylpyrazol-4-yl)oxybenzaldehyde
CID 81151684
2,3-dimethoxy-5-(1,3,5-trimethylpyrazol-4-yl)benzaldehyde
CID 82039765
4-methoxy-3-(4-methylphenyl)benzaldehyde
CID 82038833
4-methoxy-3-(1-methylbenzimidazol-5-yl)benzaldehyde
CID 22391301
4-methoxy-3-(1-methylpyrazol-4-yl)benzaldehyde
CID 82039718
3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]-4-methoxybenzaldehyde
CID 115582254
1-[4,5-dimethoxy-2-(1,3,5-trimethylpyrazol-4-yl)phenyl]-N-methylmethanamine
CID 61034443
4-methoxy-3-(5-methyl-1H-pyrazol-4-yl)benzaldehyde
CID 39222044
3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-methoxybenzaldehyde
CID 673667
3-(6-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-4-methoxybenzaldehyde
CID 86630405
3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-methylbenzaldehyde
CID 105409697

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(1,3,5-trimethylpyrazol-4-yl)benzaldehyde?
The IUPAC name of 4-methoxy-3-(1,3,5-trimethylpyrazol-4-yl)benzaldehyde (CID 82039757) is 4-methoxy-3-(1,3,5-trimethylpyrazol-4-yl)benzaldehyde.
What is the SMILES notation for 4-methoxy-3-(1,3,5-trimethylpyrazol-4-yl)benzaldehyde?
The canonical SMILES for 4-methoxy-3-(1,3,5-trimethylpyrazol-4-yl)benzaldehyde is COc1ccc(C=O)cc1-c1c(C)nn(C)c1C.
What is the InChIKey of 4-methoxy-3-(1,3,5-trimethylpyrazol-4-yl)benzaldehyde?
The InChIKey is JCTQVNJOQKUHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-9-14(10(2)16(3)15-9)12-7-11(8-17)5-6-13(12)18-4/h5-8H,1-4H3.
What are the key properties of 4-methoxy-3-(1,3,5-trimethylpyrazol-4-yl)benzaldehyde?
4-methoxy-3-(1,3,5-trimethylpyrazol-4-yl)benzaldehyde has a molecular weight of 244.29 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(1,3,5-trimethylpyrazol-4-yl)benzaldehyde is sourced from PubChem (CID 82039757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).