5-fluoro-2-methoxy-4-[1-(oxan-2-yl)pyrazol-4-yl]aniline

C15H18FN3O2 — CID 156699124

IUPAC5-fluoro-2-methoxy-4-[1-(oxan-2-yl)pyrazol-4-yl]aniline
SMILESCOc1cc(-c2cnn(C3CCCCO3)c2)c(F)cc1N
InChIInChI=1S/C15H18FN3O2/c1-20-14-6-11(12(16)7-13(14)17)10-8-18-19(9-10)15-4-2-3-5-21-15/h6-9,15H,2-5,17H2,1H3
InChIKeyRXBKIFRDBSCZBU-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.98
Rot. Bonds3

About 5-fluoro-2-methoxy-4-[1-(oxan-2-yl)pyrazol-4-yl]aniline

5-fluoro-2-methoxy-4-[1-(oxan-2-yl)pyrazol-4-yl]aniline (PubChem CID 156699124) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is 5-fluoro-2-methoxy-4-[1-(oxan-2-yl)pyrazol-4-yl]aniline.

Molecular Properties

Compound Name5-fluoro-2-methoxy-4-[1-(oxan-2-yl)pyrazol-4-yl]aniline
PubChem CID156699124
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC Name5-fluoro-2-methoxy-4-[1-(oxan-2-yl)pyrazol-4-yl]aniline
SMILESCOc1cc(-c2cnn(C3CCCCO3)c2)c(F)cc1N
InChIInChI=1S/C15H18FN3O2/c1-20-14-6-11(12(16)7-13(14)17)10-8-18-19(9-10)15-4-2-3-5-21-15/h6-9,15H,2-5,17H2,1H3
InChIKeyRXBKIFRDBSCZBU-UHFFFAOYSA-N
XLogP2.98
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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
potassium;6-chloro-4-fluoro-2-methoxy-3-[1-(oxan-2-yl)pyrazol-4-yl]pyridine;hydride
CID 174144733
4-(2,4-dichlorophenyl)-1-(oxan-2-yl)pyrazole
CID 122561537
3-[1-(oxan-2-yl)pyrazol-4-yl]-5-(trifluoromethyl)aniline
CID 171392147
2-methoxy-5-[2-(oxan-2-yl)pyrazol-3-yl]aniline
CID 154925986
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
2-fluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]benzaldehyde
CID 176914480
4-[5-ethenyl-2-(trifluoromethoxy)phenyl]-1-(oxan-2-yl)pyrazole
CID 172906877
4-[5-ethynyl-2-(trifluoromethoxy)phenyl]-1-(oxan-2-yl)pyrazole
CID 172906880
4-bromo-7-[1-(oxan-2-yl)pyrazol-4-yl]-[1,2]oxazolo[4,5-c]pyridin-3-amine
CID 148760399

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methoxy-4-[1-(oxan-2-yl)pyrazol-4-yl]aniline?
The IUPAC name of 5-fluoro-2-methoxy-4-[1-(oxan-2-yl)pyrazol-4-yl]aniline (CID 156699124) is 5-fluoro-2-methoxy-4-[1-(oxan-2-yl)pyrazol-4-yl]aniline.
What is the SMILES notation for 5-fluoro-2-methoxy-4-[1-(oxan-2-yl)pyrazol-4-yl]aniline?
The canonical SMILES for 5-fluoro-2-methoxy-4-[1-(oxan-2-yl)pyrazol-4-yl]aniline is COc1cc(-c2cnn(C3CCCCO3)c2)c(F)cc1N.
What is the InChIKey of 5-fluoro-2-methoxy-4-[1-(oxan-2-yl)pyrazol-4-yl]aniline?
The InChIKey is RXBKIFRDBSCZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2/c1-20-14-6-11(12(16)7-13(14)17)10-8-18-19(9-10)15-4-2-3-5-21-15/h6-9,15H,2-5,17H2,1H3.
What are the key properties of 5-fluoro-2-methoxy-4-[1-(oxan-2-yl)pyrazol-4-yl]aniline?
5-fluoro-2-methoxy-4-[1-(oxan-2-yl)pyrazol-4-yl]aniline has a molecular weight of 291.33 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methoxy-4-[1-(oxan-2-yl)pyrazol-4-yl]aniline is sourced from PubChem (CID 156699124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).