3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]-4-methoxybenzaldehyde

C14H15ClN2O3 — CID 115582254

IUPAC3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]-4-methoxybenzaldehyde
SMILESCOc1ccc(C=O)cc1OCc1c(C)nn(C)c1Cl
InChIInChI=1S/C14H15ClN2O3/c1-9-11(14(15)17(2)16-9)8-20-13-6-10(7-18)4-5-12(13)19-3/h4-7H,8H2,1-3H3
InChIKeyDBPCDMFTUJWAJN-UHFFFAOYSA-N
MW294.74 g/mol
LogP2.78
Rot. Bonds5

About 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]-4-methoxybenzaldehyde

3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]-4-methoxybenzaldehyde (PubChem CID 115582254) has the molecular formula C14H15ClN2O3 and a molecular weight of 294.74 g/mol. Its IUPAC name is 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]-4-methoxybenzaldehyde.

Molecular Properties

Compound Name3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]-4-methoxybenzaldehyde
PubChem CID115582254
Molecular FormulaC14H15ClN2O3
Molecular Weight294.74 g/mol
Exact Mass294.08
IUPAC Name3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]-4-methoxybenzaldehyde
SMILESCOc1ccc(C=O)cc1OCc1c(C)nn(C)c1Cl
InChIInChI=1S/C14H15ClN2O3/c1-9-11(14(15)17(2)16-9)8-20-13-6-10(7-18)4-5-12(13)19-3/h4-7H,8H2,1-3H3
InChIKeyDBPCDMFTUJWAJN-UHFFFAOYSA-N
XLogP2.78
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]-3-ethoxybenzaldehyde
CID 115582251
3-chloro-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]benzaldehyde
CID 115619393
2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]-5-methoxybenzaldehyde
CID 115582249
5-chloro-4-[(2,4-dimethylphenoxy)methyl]-1,3-dimethylpyrazole
CID 54920811
3-[(4-chlorophenyl)methoxy]-4-methoxybenzaldehyde
CID 876941
4-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-methoxybenzaldehyde
CID 43217182
2-chloro-3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]pyridine
CID 115634537
3-[(2-chlorophenyl)methoxy]-4-methoxybenzaldehyde
CID 3725223
4-[[2-(bromomethyl)-4-methylphenoxy]methyl]-5-chloro-1,3-dimethylpyrazole
CID 113470023
3-[(1-butyltetrazol-5-yl)methoxy]-4-methoxybenzaldehyde
CID 102604048
4-methoxy-3-[(2-methoxyphenyl)methoxy]benzaldehyde
CID 60666587
4-methoxy-3-(1,3,5-trimethylpyrazol-4-yl)benzaldehyde
CID 82039757

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]-4-methoxybenzaldehyde?
The IUPAC name of 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]-4-methoxybenzaldehyde (CID 115582254) is 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]-4-methoxybenzaldehyde.
What is the SMILES notation for 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]-4-methoxybenzaldehyde?
The canonical SMILES for 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]-4-methoxybenzaldehyde is COc1ccc(C=O)cc1OCc1c(C)nn(C)c1Cl.
What is the InChIKey of 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]-4-methoxybenzaldehyde?
The InChIKey is DBPCDMFTUJWAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3/c1-9-11(14(15)17(2)16-9)8-20-13-6-10(7-18)4-5-12(13)19-3/h4-7H,8H2,1-3H3.
What are the key properties of 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]-4-methoxybenzaldehyde?
3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]-4-methoxybenzaldehyde has a molecular weight of 294.74 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]-4-methoxybenzaldehyde is sourced from PubChem (CID 115582254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).