2,4-dichloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]benzaldehyde

C12H7Cl3F2N2O2 — CID 15672172

IUPAC2,4-dichloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]benzaldehyde
SMILESCn1nc(-c2cc(C=O)c(Cl)cc2Cl)c(Cl)c1OC(F)F
InChIInChI=1S/C12H7Cl3F2N2O2/c1-19-11(21-12(16)17)9(15)10(18-19)6-2-5(4-20)7(13)3-8(6)14/h2-4,12H,1H3
InChIKeyCQYHJGNPRONGMP-UHFFFAOYSA-N
MW355.56 g/mol
LogP4.46
Rot. Bonds4

About 2,4-dichloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]benzaldehyde

2,4-dichloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]benzaldehyde (PubChem CID 15672172) has the molecular formula C12H7Cl3F2N2O2 and a molecular weight of 355.56 g/mol. Its IUPAC name is 2,4-dichloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]benzaldehyde.

Molecular Properties

Compound Name2,4-dichloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]benzaldehyde
PubChem CID15672172
Molecular FormulaC12H7Cl3F2N2O2
Molecular Weight355.56 g/mol
Exact Mass353.95
IUPAC Name2,4-dichloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]benzaldehyde
SMILESCn1nc(-c2cc(C=O)c(Cl)cc2Cl)c(Cl)c1OC(F)F
InChIInChI=1S/C12H7Cl3F2N2O2/c1-19-11(21-12(16)17)9(15)10(18-19)6-2-5(4-20)7(13)3-8(6)14/h2-4,12H,1H3
InChIKeyCQYHJGNPRONGMP-UHFFFAOYSA-N
XLogP4.46
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.56
LogP ≤ 54.46
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-Chloro-5-(4-chloro-5-difluoromethoxy-1-methyl-1H-pyrazol-3-yl)-4-fluorobenzaldehyde
CID 11809922
3-(5-dibromomethyl-2,4-dichlorophenyl)-4-chloro-5-difluoromethoxy-1-methyl-1H-pyrazole
CID 15030571
5-(4-Chloro-5-difluoromethoxy-1-methyl-1H-pyrazol-3-yl)-2,4-dichlorobenzoic acid
CID 15030595
4-chloro-5-difluoromethoxy-3-(4-chloro-3-methylphenyl)-1-methyl-1H-pyrazole
CID 15220186
4-Chloro-3-(4-chloro-3-formylphenyl)-5-difluoromethoxy-1-methyl-1H-pyrazole
CID 15220189
3-(3-Carboxy-4-chlorophenyl)-4-chloro-5-difluoromethoxy-1-methyl-1H-pyrazole
CID 15220193
4-Chloro-3-(4-chloro-3-methoxymethylphenyl)-5-difluoromethoxy-1-methyl-1H-pyrazole
CID 15220195
(E)-1-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]phenyl]-N-ethoxymethanimine
CID 15220196
methyl (Z)-2-bromo-3-[2,4-dichloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]phenyl]prop-2-enoate
CID 15277993
5-(4-chloro-5-difluoromethoxy-1-methyl-1H-pyrazol-3-yl)-2,4-dichlorobenzoyl chloride
CID 15346389
2-chloro-5-(4-chloro-5-difluoromethoxy-1-methyl-1H-pyrazol-3-yl)-4-fluorobenzoic acid
CID 15671959
methyl 2-chloro-5-(4-chloro-5-difluoromethoxy-1-methyl-1H-pyrazol-3-yl)-4-fluorobenzoate
CID 15671960

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]benzaldehyde?
The IUPAC name of 2,4-dichloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]benzaldehyde (CID 15672172) is 2,4-dichloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]benzaldehyde.
What is the SMILES notation for 2,4-dichloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]benzaldehyde?
The canonical SMILES for 2,4-dichloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]benzaldehyde is Cn1nc(-c2cc(C=O)c(Cl)cc2Cl)c(Cl)c1OC(F)F.
What is the InChIKey of 2,4-dichloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]benzaldehyde?
The InChIKey is CQYHJGNPRONGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl3F2N2O2/c1-19-11(21-12(16)17)9(15)10(18-19)6-2-5(4-20)7(13)3-8(6)14/h2-4,12H,1H3.
What are the key properties of 2,4-dichloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]benzaldehyde?
2,4-dichloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]benzaldehyde has a molecular weight of 355.56 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]benzaldehyde is sourced from PubChem (CID 15672172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).