2,4-dichloro-5-(1-methyl-3-phenylmethoxypyrazol-4-yl)benzaldehyde

C18H14Cl2N2O2 — CID 168867325

IUPAC2,4-dichloro-5-(1-methyl-3-phenylmethoxypyrazol-4-yl)benzaldehyde
SMILESCn1cc(-c2cc(C=O)c(Cl)cc2Cl)c(OCc2ccccc2)n1
InChIInChI=1S/C18H14Cl2N2O2/c1-22-9-15(14-7-13(10-23)16(19)8-17(14)20)18(21-22)24-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKeyHQFUMSAQPCRBHH-UHFFFAOYSA-N
MW361.23 g/mol
LogP4.79
Rot. Bonds5

About 2,4-dichloro-5-(1-methyl-3-phenylmethoxypyrazol-4-yl)benzaldehyde

2,4-dichloro-5-(1-methyl-3-phenylmethoxypyrazol-4-yl)benzaldehyde (PubChem CID 168867325) has the molecular formula C18H14Cl2N2O2 and a molecular weight of 361.23 g/mol. Its IUPAC name is 2,4-dichloro-5-(1-methyl-3-phenylmethoxypyrazol-4-yl)benzaldehyde.

Molecular Properties

Compound Name2,4-dichloro-5-(1-methyl-3-phenylmethoxypyrazol-4-yl)benzaldehyde
PubChem CID168867325
Molecular FormulaC18H14Cl2N2O2
Molecular Weight361.23 g/mol
Exact Mass360.04
IUPAC Name2,4-dichloro-5-(1-methyl-3-phenylmethoxypyrazol-4-yl)benzaldehyde
SMILESCn1cc(-c2cc(C=O)c(Cl)cc2Cl)c(OCc2ccccc2)n1
InChIInChI=1S/C18H14Cl2N2O2/c1-22-9-15(14-7-13(10-23)16(19)8-17(14)20)18(21-22)24-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKeyHQFUMSAQPCRBHH-UHFFFAOYSA-N
XLogP4.79
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.23
LogP ≤ 54.79
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-ethoxy-4-phenylmethoxybenzaldehyde
CID 890667
4-iodo-1-methyl-3-phenylmethoxypyrazole
CID 70813033
3-cyclopropyl-4-(1-methyl-3-phenylmethoxypyrazol-4-yl)pyridine
CID 70813138
3-[(4-phenylmethoxyphenyl)methoxy]-1-[(4-phenylmethoxyphenyl)methyl]pyrazole-4-carbaldehyde
CID 23024793
1-ethyl-4-phenyl-3-phenylmethoxypyrazole
CID 174513301
3-chloro-2-[4-[(1-methyl-4-pyridin-4-ylpyrazol-3-yl)oxymethyl]phenyl]quinoline
CID 70813184
5-chloro-2-methylindazole-6-carbaldehyde
CID 117110225
3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazole-7-carbaldehyde
CID 170433632
5-ethyl-2-phenylmethoxy-6-(phenylmethoxymethyl)pyridine-3-carbaldehyde
CID 19769119
3,5-dichloro-2-(phenylmethoxymethoxy)benzaldehyde
CID 102939681
2-chloro-3-methyl-4-phenylmethoxybenzaldehyde
CID 164892231
4-chloro-3-fluoro-2-phenylmethoxybenzaldehyde
CID 163198266

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-(1-methyl-3-phenylmethoxypyrazol-4-yl)benzaldehyde?
The IUPAC name of 2,4-dichloro-5-(1-methyl-3-phenylmethoxypyrazol-4-yl)benzaldehyde (CID 168867325) is 2,4-dichloro-5-(1-methyl-3-phenylmethoxypyrazol-4-yl)benzaldehyde.
What is the SMILES notation for 2,4-dichloro-5-(1-methyl-3-phenylmethoxypyrazol-4-yl)benzaldehyde?
The canonical SMILES for 2,4-dichloro-5-(1-methyl-3-phenylmethoxypyrazol-4-yl)benzaldehyde is Cn1cc(-c2cc(C=O)c(Cl)cc2Cl)c(OCc2ccccc2)n1.
What is the InChIKey of 2,4-dichloro-5-(1-methyl-3-phenylmethoxypyrazol-4-yl)benzaldehyde?
The InChIKey is HQFUMSAQPCRBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O2/c1-22-9-15(14-7-13(10-23)16(19)8-17(14)20)18(21-22)24-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3.
What are the key properties of 2,4-dichloro-5-(1-methyl-3-phenylmethoxypyrazol-4-yl)benzaldehyde?
2,4-dichloro-5-(1-methyl-3-phenylmethoxypyrazol-4-yl)benzaldehyde has a molecular weight of 361.23 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-(1-methyl-3-phenylmethoxypyrazol-4-yl)benzaldehyde is sourced from PubChem (CID 168867325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).