1-[(2-phenylmethoxyphenyl)methoxymethyl]pyrazole-4-carbaldehyde

C19H18N2O3 — CID 140553339

IUPAC1-[(2-phenylmethoxyphenyl)methoxymethyl]pyrazole-4-carbaldehyde
SMILESO=Cc1cnn(COCc2ccccc2OCc2ccccc2)c1
InChIInChI=1S/C19H18N2O3/c22-12-17-10-20-21(11-17)15-23-14-18-8-4-5-9-19(18)24-13-16-6-2-1-3-7-16/h1-12H,13-15H2
InChIKeyAOZYIZKQMPURQD-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.45
Rot. Bonds8

About 1-[(2-phenylmethoxyphenyl)methoxymethyl]pyrazole-4-carbaldehyde

1-[(2-phenylmethoxyphenyl)methoxymethyl]pyrazole-4-carbaldehyde (PubChem CID 140553339) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 1-[(2-phenylmethoxyphenyl)methoxymethyl]pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1-[(2-phenylmethoxyphenyl)methoxymethyl]pyrazole-4-carbaldehyde
PubChem CID140553339
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name1-[(2-phenylmethoxyphenyl)methoxymethyl]pyrazole-4-carbaldehyde
SMILESO=Cc1cnn(COCc2ccccc2OCc2ccccc2)c1
InChIInChI=1S/C19H18N2O3/c22-12-17-10-20-21(11-17)15-23-14-18-8-4-5-9-19(18)24-13-16-6-2-1-3-7-16/h1-12H,13-15H2
InChIKeyAOZYIZKQMPURQD-UHFFFAOYSA-N
XLogP3.45
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.45
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

1-[(2,3-dimethoxyphenyl)methyl]pyrazole-4-carbaldehyde
CID 118380635
6-phenylmethoxypyridine-3-carbaldehyde
CID 21102205
1-[(2-chloro-3-pyridinyl)methyl]pyrazole-4-carbaldehyde
CID 164719188
1-[2-[2-(4-formylpyrazol-1-yl)ethoxy]ethyl]pyrazole-4-carbaldehyde
CID 101441562
1-(pyridin-2-ylmethyl)pyrazole-4-carbaldehyde
CID 118380728
3-[(benzylamino)methyl]-4-phenylmethoxybenzaldehyde
CID 139985120
ethyl 2-[4-(2-formyl-3-phenylmethoxyphenyl)pyrazol-1-yl]acetate
CID 172993917
2-[1-(cyclobutylmethyl)pyrazol-4-yl]-6-phenylmethoxybenzaldehyde
CID 172993925
2-(1-hexylpyrazol-4-yl)-6-phenylmethoxybenzaldehyde
CID 172993928
3,4,5-tris[[3,4,5-tris(phenylmethoxy)phenyl]methoxy]benzaldehyde
CID 101265735
3-(2-phenylmethoxyphenyl)-4-(2,2,2-trifluoroethoxy)benzaldehyde
CID 165416818
3-[(2-benzylphenoxy)methyl]pyridine
CID 112814185

Frequently Asked Questions

What is the IUPAC name of 1-[(2-phenylmethoxyphenyl)methoxymethyl]pyrazole-4-carbaldehyde?
The IUPAC name of 1-[(2-phenylmethoxyphenyl)methoxymethyl]pyrazole-4-carbaldehyde (CID 140553339) is 1-[(2-phenylmethoxyphenyl)methoxymethyl]pyrazole-4-carbaldehyde.
What is the SMILES notation for 1-[(2-phenylmethoxyphenyl)methoxymethyl]pyrazole-4-carbaldehyde?
The canonical SMILES for 1-[(2-phenylmethoxyphenyl)methoxymethyl]pyrazole-4-carbaldehyde is O=Cc1cnn(COCc2ccccc2OCc2ccccc2)c1.
What is the InChIKey of 1-[(2-phenylmethoxyphenyl)methoxymethyl]pyrazole-4-carbaldehyde?
The InChIKey is AOZYIZKQMPURQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c22-12-17-10-20-21(11-17)15-23-14-18-8-4-5-9-19(18)24-13-16-6-2-1-3-7-16/h1-12H,13-15H2.
What are the key properties of 1-[(2-phenylmethoxyphenyl)methoxymethyl]pyrazole-4-carbaldehyde?
1-[(2-phenylmethoxyphenyl)methoxymethyl]pyrazole-4-carbaldehyde has a molecular weight of 322.36 g/mol, XLogP of 3.45, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-phenylmethoxyphenyl)methoxymethyl]pyrazole-4-carbaldehyde is sourced from PubChem (CID 140553339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).