2-fluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]benzaldehyde

C15H15FN2O2 — CID 176914480

IUPAC2-fluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]benzaldehyde
SMILESO=Cc1ccc(-c2cnn(C3CCCCO3)c2)cc1F
InChIInChI=1S/C15H15FN2O2/c16-14-7-11(4-5-12(14)10-19)13-8-17-18(9-13)15-3-1-2-6-20-15/h4-5,7-10,15H,1-3,6H2
InChIKeyUCSRMVPTOZZNHE-UHFFFAOYSA-N
MW274.30 g/mol
LogP3.20
Rot. Bonds3

About 2-fluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]benzaldehyde

2-fluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]benzaldehyde (PubChem CID 176914480) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is 2-fluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]benzaldehyde.

Molecular Properties

Compound Name2-fluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]benzaldehyde
PubChem CID176914480
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name2-fluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]benzaldehyde
SMILESO=Cc1ccc(-c2cnn(C3CCCCO3)c2)cc1F
InChIInChI=1S/C15H15FN2O2/c16-14-7-11(4-5-12(14)10-19)13-8-17-18(9-13)15-3-1-2-6-20-15/h4-5,7-10,15H,1-3,6H2
InChIKeyUCSRMVPTOZZNHE-UHFFFAOYSA-N
XLogP3.20
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 53.20
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-[1-(oxan-2-yl)pyrazol-4-yl]phthalaldehyde
CID 162696460
4-[2,5-difluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]-1-(oxan-2-yl)pyrazole
CID 140928225
N-fluoro-2-methoxy-4-[1-(oxan-2-yl)pyrazol-4-yl]aniline
CID 156756104
5-[1-(oxan-2-yl)pyrazol-4-yl]pyridin-2-amine
CID 171770243
5-[1-[(2S)-oxan-2-yl]pyrazol-4-yl]pyrimidine
CID 126433846
4-(2,4-dichlorophenyl)-1-(oxan-2-yl)pyrazole
CID 122561537
ethyl 2-[2-fluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]-3,6-dihydro-2H-pyran-5-carboxylate
CID 176914505
3-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]cyclobutan-1-amine
CID 167978748
N,N-dimethyl-5-[1-[(2S)-oxan-2-yl]pyrazol-4-yl]pyridin-2-amine
CID 126430312
potassium;6-chloro-4-fluoro-2-methoxy-3-[1-(oxan-2-yl)pyrazol-4-yl]pyridine;hydride
CID 174144733
5-fluoro-2-methoxy-4-[1-(oxan-2-yl)pyrazol-4-yl]aniline
CID 156699124
3-[1-(oxan-2-yl)pyrazol-4-yl]-5-(trifluoromethyl)aniline
CID 171392147

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]benzaldehyde?
The IUPAC name of 2-fluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]benzaldehyde (CID 176914480) is 2-fluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]benzaldehyde.
What is the SMILES notation for 2-fluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]benzaldehyde?
The canonical SMILES for 2-fluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]benzaldehyde is O=Cc1ccc(-c2cnn(C3CCCCO3)c2)cc1F.
What is the InChIKey of 2-fluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]benzaldehyde?
The InChIKey is UCSRMVPTOZZNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c16-14-7-11(4-5-12(14)10-19)13-8-17-18(9-13)15-3-1-2-6-20-15/h4-5,7-10,15H,1-3,6H2.
What are the key properties of 2-fluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]benzaldehyde?
2-fluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]benzaldehyde has a molecular weight of 274.30 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]benzaldehyde is sourced from PubChem (CID 176914480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).