2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]-5-methoxybenzaldehyde

C14H15ClN2O3 — CID 115582249

IUPAC2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]-5-methoxybenzaldehyde
SMILESCOc1ccc(OCc2c(C)nn(C)c2Cl)c(C=O)c1
InChIInChI=1S/C14H15ClN2O3/c1-9-12(14(15)17(2)16-9)8-20-13-5-4-11(19-3)6-10(13)7-18/h4-7H,8H2,1-3H3
InChIKeyIRRUIUWTRLOLFA-UHFFFAOYSA-N
MW294.74 g/mol
LogP2.78
Rot. Bonds5

About 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]-5-methoxybenzaldehyde

2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]-5-methoxybenzaldehyde (PubChem CID 115582249) has the molecular formula C14H15ClN2O3 and a molecular weight of 294.74 g/mol. Its IUPAC name is 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]-5-methoxybenzaldehyde.

Molecular Properties

Compound Name2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]-5-methoxybenzaldehyde
PubChem CID115582249
Molecular FormulaC14H15ClN2O3
Molecular Weight294.74 g/mol
Exact Mass294.08
IUPAC Name2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]-5-methoxybenzaldehyde
SMILESCOc1ccc(OCc2c(C)nn(C)c2Cl)c(C=O)c1
InChIInChI=1S/C14H15ClN2O3/c1-9-12(14(15)17(2)16-9)8-20-13-5-4-11(19-3)6-10(13)7-18/h4-7H,8H2,1-3H3
InChIKeyIRRUIUWTRLOLFA-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

3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]-4-methoxybenzaldehyde
CID 115582254
3-chloro-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]benzaldehyde
CID 115619393
4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]-3-ethoxybenzaldehyde
CID 115582251
5-chloro-4-[(2,4-dimethylphenoxy)methyl]-1,3-dimethylpyrazole
CID 54920811
2-[4-(2-formyl-4-methoxyphenoxy)butoxy]-5-methoxybenzaldehyde
CID 11850864
2-(2-chloroethoxy)-5-methoxybenzaldehyde
CID 3828469
2-chloro-3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]pyridine
CID 115634537
2-[(2,5-dichlorophenyl)methoxy]-5-methoxybenzaldehyde
CID 65317291
4-[[2-(bromomethyl)-4-methylphenoxy]methyl]-5-chloro-1,3-dimethylpyrazole
CID 113470023
1-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]phenyl]ethanone
CID 113223262
1-[2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]-4-fluorophenyl]ethanone
CID 115619394
5-chloro-1,3-dimethyl-4-[(5-methyl-2-propan-2-ylphenoxy)methyl]pyrazole
CID 60796615

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]-5-methoxybenzaldehyde?
The IUPAC name of 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]-5-methoxybenzaldehyde (CID 115582249) is 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]-5-methoxybenzaldehyde.
What is the SMILES notation for 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]-5-methoxybenzaldehyde?
The canonical SMILES for 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]-5-methoxybenzaldehyde is COc1ccc(OCc2c(C)nn(C)c2Cl)c(C=O)c1.
What is the InChIKey of 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]-5-methoxybenzaldehyde?
The InChIKey is IRRUIUWTRLOLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3/c1-9-12(14(15)17(2)16-9)8-20-13-5-4-11(19-3)6-10(13)7-18/h4-7H,8H2,1-3H3.
What are the key properties of 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]-5-methoxybenzaldehyde?
2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]-5-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 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]-5-methoxybenzaldehyde is sourced from PubChem (CID 115582249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).