3-phenylmethoxy-5-(1,3,5-trimethylpyrazol-4-yl)benzaldehyde

C20H20N2O2 — CID 172651308

IUPAC3-phenylmethoxy-5-(1,3,5-trimethylpyrazol-4-yl)benzaldehyde
SMILESCc1nn(C)c(C)c1-c1cc(C=O)cc(OCc2ccccc2)c1
InChIInChI=1S/C20H20N2O2/c1-14-20(15(2)22(3)21-14)18-9-17(12-23)10-19(11-18)24-13-16-7-5-4-6-8-16/h4-12H,13H2,1-3H3
InChIKeyIOJZRKZYASWSBZ-UHFFFAOYSA-N
MW320.39 g/mol
LogP4.10
Rot. Bonds5

About 3-phenylmethoxy-5-(1,3,5-trimethylpyrazol-4-yl)benzaldehyde

3-phenylmethoxy-5-(1,3,5-trimethylpyrazol-4-yl)benzaldehyde (PubChem CID 172651308) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 3-phenylmethoxy-5-(1,3,5-trimethylpyrazol-4-yl)benzaldehyde.

Molecular Properties

Compound Name3-phenylmethoxy-5-(1,3,5-trimethylpyrazol-4-yl)benzaldehyde
PubChem CID172651308
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name3-phenylmethoxy-5-(1,3,5-trimethylpyrazol-4-yl)benzaldehyde
SMILESCc1nn(C)c(C)c1-c1cc(C=O)cc(OCc2ccccc2)c1
InChIInChI=1S/C20H20N2O2/c1-14-20(15(2)22(3)21-14)18-9-17(12-23)10-19(11-18)24-13-16-7-5-4-6-8-16/h4-12H,13H2,1-3H3
InChIKeyIOJZRKZYASWSBZ-UHFFFAOYSA-N
XLogP4.10
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.10
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

4-(2,6-dimethyl-4-phenylmethoxyphenyl)benzaldehyde
CID 101137305
3,5-dimethoxy-4-(4-phenylmethoxyphenyl)benzaldehyde
CID 22670004
3-chloro-4-(4-phenylmethoxyphenyl)-5-propan-2-ylbenzaldehyde
CID 101137302
1,3,5-trimethyl-N-(4-phenylmethoxyphenyl)pyrazole-4-sulfonamide
CID 8822238
3-[[3-[[3-[(3-phenylmethoxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]benzaldehyde
CID 11156824
4-methylbenzaldehyde;3-[(4-methylphenyl)methoxy]benzaldehyde
CID 161145970
2-methyl-4,6-bis(phenylmethoxy)benzaldehyde
CID 11359497
6-(4-phenylmethoxyphenoxy)pyridine-3-carbaldehyde
CID 172879447
3-[(3-ethylphenyl)methoxy]-5-methylbenzaldehyde
CID 123229702
3,5-bis[(4-ethoxyphenyl)methoxy]benzaldehyde
CID 25120528
4-(chloromethyl)-1,3-dimethyl-5-phenylmethoxypyrazole
CID 28964580
4-fluoro-3-(1,3,5-trimethylpyrazol-4-yl)benzaldehyde
CID 54910083

Frequently Asked Questions

What is the IUPAC name of 3-phenylmethoxy-5-(1,3,5-trimethylpyrazol-4-yl)benzaldehyde?
The IUPAC name of 3-phenylmethoxy-5-(1,3,5-trimethylpyrazol-4-yl)benzaldehyde (CID 172651308) is 3-phenylmethoxy-5-(1,3,5-trimethylpyrazol-4-yl)benzaldehyde.
What is the SMILES notation for 3-phenylmethoxy-5-(1,3,5-trimethylpyrazol-4-yl)benzaldehyde?
The canonical SMILES for 3-phenylmethoxy-5-(1,3,5-trimethylpyrazol-4-yl)benzaldehyde is Cc1nn(C)c(C)c1-c1cc(C=O)cc(OCc2ccccc2)c1.
What is the InChIKey of 3-phenylmethoxy-5-(1,3,5-trimethylpyrazol-4-yl)benzaldehyde?
The InChIKey is IOJZRKZYASWSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-14-20(15(2)22(3)21-14)18-9-17(12-23)10-19(11-18)24-13-16-7-5-4-6-8-16/h4-12H,13H2,1-3H3.
What are the key properties of 3-phenylmethoxy-5-(1,3,5-trimethylpyrazol-4-yl)benzaldehyde?
3-phenylmethoxy-5-(1,3,5-trimethylpyrazol-4-yl)benzaldehyde has a molecular weight of 320.39 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylmethoxy-5-(1,3,5-trimethylpyrazol-4-yl)benzaldehyde is sourced from PubChem (CID 172651308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).