4-[2,5-difluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]-1-(oxan-2-yl)pyrazole

C22H24F2N4O2 — CID 140928225

IUPAC4-[2,5-difluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]-1-(oxan-2-yl)pyrazole
SMILESFc1cc(-c2cnn(C3CCCCO3)c2)c(F)cc1-c1cnn(C2CCCCO2)c1
InChIInChI=1S/C22H24F2N4O2/c23-19-10-18(16-12-26-28(14-16)22-6-2-4-8-30-22)20(24)9-17(19)15-11-25-27(13-15)21-5-1-3-7-29-21/h9-14,21-22H,1-8H2
InChIKeyDJJWBEWUBQOLRQ-UHFFFAOYSA-N
MW414.46 g/mol
LogP5.09
Rot. Bonds4

About 4-[2,5-difluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]-1-(oxan-2-yl)pyrazole

4-[2,5-difluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]-1-(oxan-2-yl)pyrazole (PubChem CID 140928225) has the molecular formula C22H24F2N4O2 and a molecular weight of 414.46 g/mol. Its IUPAC name is 4-[2,5-difluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]-1-(oxan-2-yl)pyrazole.

Molecular Properties

Compound Name4-[2,5-difluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]-1-(oxan-2-yl)pyrazole
PubChem CID140928225
Molecular FormulaC22H24F2N4O2
Molecular Weight414.46 g/mol
Exact Mass414.19
IUPAC Name4-[2,5-difluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]-1-(oxan-2-yl)pyrazole
SMILESFc1cc(-c2cnn(C3CCCCO3)c2)c(F)cc1-c1cnn(C2CCCCO2)c1
InChIInChI=1S/C22H24F2N4O2/c23-19-10-18(16-12-26-28(14-16)22-6-2-4-8-30-22)20(24)9-17(19)15-11-25-27(13-15)21-5-1-3-7-29-21/h9-14,21-22H,1-8H2
InChIKeyDJJWBEWUBQOLRQ-UHFFFAOYSA-N
XLogP5.09
TPSA54.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.46
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-fluoro-2-methoxy-4-[1-(oxan-2-yl)pyrazol-4-yl]aniline
CID 156699124
4-(2,4-dichlorophenyl)-1-(oxan-2-yl)pyrazole
CID 122561537
5-[1-[(2S)-oxan-2-yl]pyrazol-4-yl]pyrimidine
CID 126433846
2-fluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]benzaldehyde
CID 176914480
3-[1-(oxan-2-yl)pyrazol-4-yl]-5-(trifluoromethyl)aniline
CID 171392147
[4-[1-(oxan-2-yl)pyrazol-4-yl]thiophen-3-yl]methanol
CID 166243854
4-[1-(oxan-2-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-6-ol
CID 175708982
4-[2,3-difluoro-4-(4-methylidenecyclohexyl)phenyl]-1-(oxan-2-yl)pyrazole
CID 176914517
potassium;6-chloro-4-fluoro-2-methoxy-3-[1-(oxan-2-yl)pyrazol-4-yl]pyridine;hydride
CID 174144733
4-chloro-1-[(2S)-oxan-2-yl]pyrazole
CID 124506510
2-[2-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]ethanol
CID 166638783
1-(difluoromethyl)-4-fluoro-5-[1-(oxan-2-yl)pyrazol-4-yl]triazole
CID 167421997

Frequently Asked Questions

What is the IUPAC name of 4-[2,5-difluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]-1-(oxan-2-yl)pyrazole?
The IUPAC name of 4-[2,5-difluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]-1-(oxan-2-yl)pyrazole (CID 140928225) is 4-[2,5-difluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]-1-(oxan-2-yl)pyrazole.
What is the SMILES notation for 4-[2,5-difluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]-1-(oxan-2-yl)pyrazole?
The canonical SMILES for 4-[2,5-difluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]-1-(oxan-2-yl)pyrazole is Fc1cc(-c2cnn(C3CCCCO3)c2)c(F)cc1-c1cnn(C2CCCCO2)c1.
What is the InChIKey of 4-[2,5-difluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]-1-(oxan-2-yl)pyrazole?
The InChIKey is DJJWBEWUBQOLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N4O2/c23-19-10-18(16-12-26-28(14-16)22-6-2-4-8-30-22)20(24)9-17(19)15-11-25-27(13-15)21-5-1-3-7-29-21/h9-14,21-22H,1-8H2.
What are the key properties of 4-[2,5-difluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]-1-(oxan-2-yl)pyrazole?
4-[2,5-difluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]-1-(oxan-2-yl)pyrazole has a molecular weight of 414.46 g/mol, XLogP of 5.09, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,5-difluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]-1-(oxan-2-yl)pyrazole is sourced from PubChem (CID 140928225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).