4-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]benzaldehyde

C21H21N3O3 — CID 142526728

IUPAC4-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]benzaldehyde
SMILESO=Cc1ccc(COc2ccc(-c3ccnn3C3CCCCO3)nc2)cc1
InChIInChI=1S/C21H21N3O3/c25-14-16-4-6-17(7-5-16)15-27-18-8-9-19(22-13-18)20-10-11-23-24(20)21-3-1-2-12-26-21/h4-11,13-14,21H,1-3,12,15H2
InChIKeyDZUDZAWFNCLFSK-UHFFFAOYSA-N
MW363.42 g/mol
LogP4.04
Rot. Bonds6

About 4-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]benzaldehyde

4-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]benzaldehyde (PubChem CID 142526728) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 4-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]benzaldehyde.

Molecular Properties

Compound Name4-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]benzaldehyde
PubChem CID142526728
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name4-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]benzaldehyde
SMILESO=Cc1ccc(COc2ccc(-c3ccnn3C3CCCCO3)nc2)cc1
InChIInChI=1S/C21H21N3O3/c25-14-16-4-6-17(7-5-16)15-27-18-8-9-19(22-13-18)20-10-11-23-24(20)21-3-1-2-12-26-21/h4-11,13-14,21H,1-3,12,15H2
InChIKeyDZUDZAWFNCLFSK-UHFFFAOYSA-N
XLogP4.04
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-4-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]benzenesulfonamide
CID 137364312
2-methyl-5-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]phenol
CID 142526925
5-ethoxy-2-[2-(oxan-2-yl)pyrazol-3-yl]pyridine
CID 130360539
5-[(3-bromophenyl)methoxy]-2-[2-(oxan-2-yl)pyrazol-3-yl]pyridine
CID 130360847
4-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxy]butan-1-amine
CID 142526707
methyl 2-[3-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]phenyl]acetate
CID 142527037
ethyl 1-[3-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]phenyl]piperidine-4-carboxylate
CID 142526883
(E)-3-[2-fluoro-3-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]phenyl]prop-2-enoic acid
CID 146658407
N-methylsulfonyl-6-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxy]hexanamide
CID 142526681
1-[4-[3-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]phenyl]-4-trimethylsilyloxypiperidin-1-yl]ethanone
CID 142526656
N-methyl-N-[3-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]cyclobutyl]acetamide
CID 137364349
3-amino-1-[(3R)-3-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]piperidin-1-yl]propan-1-one
CID 130360188

Frequently Asked Questions

What is the IUPAC name of 4-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]benzaldehyde?
The IUPAC name of 4-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]benzaldehyde (CID 142526728) is 4-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]benzaldehyde.
What is the SMILES notation for 4-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]benzaldehyde?
The canonical SMILES for 4-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]benzaldehyde is O=Cc1ccc(COc2ccc(-c3ccnn3C3CCCCO3)nc2)cc1.
What is the InChIKey of 4-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]benzaldehyde?
The InChIKey is DZUDZAWFNCLFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c25-14-16-4-6-17(7-5-16)15-27-18-8-9-19(22-13-18)20-10-11-23-24(20)21-3-1-2-12-26-21/h4-11,13-14,21H,1-3,12,15H2.
What are the key properties of 4-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]benzaldehyde?
4-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]benzaldehyde has a molecular weight of 363.42 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]benzaldehyde is sourced from PubChem (CID 142526728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).