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

C15H18FN3O2 — CID 156756104

IUPACN-fluoro-2-methoxy-4-[1-(oxan-2-yl)pyrazol-4-yl]aniline
SMILESCOc1cc(-c2cnn(C3CCCCO3)c2)ccc1NF
InChIInChI=1S/C15H18FN3O2/c1-20-14-8-11(5-6-13(14)18-16)12-9-17-19(10-12)15-4-2-3-7-21-15/h5-6,8-10,15,18H,2-4,7H2,1H3
InChIKeyKAWGSRJEHKRUDS-UHFFFAOYSA-N
MW291.33 g/mol
LogP3.55
Rot. Bonds4

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

N-fluoro-2-methoxy-4-[1-(oxan-2-yl)pyrazol-4-yl]aniline (PubChem CID 156756104) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is N-fluoro-2-methoxy-4-[1-(oxan-2-yl)pyrazol-4-yl]aniline.

Molecular Properties

Compound NameN-fluoro-2-methoxy-4-[1-(oxan-2-yl)pyrazol-4-yl]aniline
PubChem CID156756104
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC NameN-fluoro-2-methoxy-4-[1-(oxan-2-yl)pyrazol-4-yl]aniline
SMILESCOc1cc(-c2cnn(C3CCCCO3)c2)ccc1NF
InChIInChI=1S/C15H18FN3O2/c1-20-14-8-11(5-6-13(14)18-16)12-9-17-19(10-12)15-4-2-3-7-21-15/h5-6,8-10,15,18H,2-4,7H2,1H3
InChIKeyKAWGSRJEHKRUDS-UHFFFAOYSA-N
XLogP3.55
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-2-methoxy-4-[1-(oxan-2-yl)pyrazol-4-yl]aniline
CID 156699124
4-[1-(oxan-2-yl)pyrazol-4-yl]phthalaldehyde
CID 162696460
2-fluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]benzaldehyde
CID 176914480
4-[2,5-difluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]-1-(oxan-2-yl)pyrazole
CID 140928225
N-(7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-7-[1-(oxan-2-yl)pyrazol-4-yl]quinazolin-2-amine
CID 170039250
5-[2-methoxy-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazin-2-amine
CID 139535431
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
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
3-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]cyclobutan-1-amine
CID 167978748
methyl 2-[2-(3,5-dichloropyrazin-2-yl)-5-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]acetate
CID 166521809

Frequently Asked Questions

What is the IUPAC name of N-fluoro-2-methoxy-4-[1-(oxan-2-yl)pyrazol-4-yl]aniline?
The IUPAC name of N-fluoro-2-methoxy-4-[1-(oxan-2-yl)pyrazol-4-yl]aniline (CID 156756104) is N-fluoro-2-methoxy-4-[1-(oxan-2-yl)pyrazol-4-yl]aniline.
What is the SMILES notation for N-fluoro-2-methoxy-4-[1-(oxan-2-yl)pyrazol-4-yl]aniline?
The canonical SMILES for N-fluoro-2-methoxy-4-[1-(oxan-2-yl)pyrazol-4-yl]aniline is COc1cc(-c2cnn(C3CCCCO3)c2)ccc1NF.
What is the InChIKey of N-fluoro-2-methoxy-4-[1-(oxan-2-yl)pyrazol-4-yl]aniline?
The InChIKey is KAWGSRJEHKRUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2/c1-20-14-8-11(5-6-13(14)18-16)12-9-17-19(10-12)15-4-2-3-7-21-15/h5-6,8-10,15,18H,2-4,7H2,1H3.
What are the key properties of N-fluoro-2-methoxy-4-[1-(oxan-2-yl)pyrazol-4-yl]aniline?
N-fluoro-2-methoxy-4-[1-(oxan-2-yl)pyrazol-4-yl]aniline has a molecular weight of 291.33 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoro-2-methoxy-4-[1-(oxan-2-yl)pyrazol-4-yl]aniline is sourced from PubChem (CID 156756104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).