5-[[3-(3,4-difluorophenoxy)azetidin-1-yl]methyl]-1-methylpyrazole

C14H15F2N3O — CID 134793644

IUPAC5-[[3-(3,4-difluorophenoxy)azetidin-1-yl]methyl]-1-methylpyrazole
SMILESCn1nccc1CN1CC(Oc2ccc(F)c(F)c2)C1
InChIInChI=1S/C14H15F2N3O/c1-18-10(4-5-17-18)7-19-8-12(9-19)20-11-2-3-13(15)14(16)6-11/h2-6,12H,7-9H2,1H3
InChIKeyQZUDOXWMPIIZAJ-UHFFFAOYSA-N
MW279.29 g/mol
LogP1.96
Rot. Bonds4

About 5-[[3-(3,4-difluorophenoxy)azetidin-1-yl]methyl]-1-methylpyrazole

5-[[3-(3,4-difluorophenoxy)azetidin-1-yl]methyl]-1-methylpyrazole (PubChem CID 134793644) has the molecular formula C14H15F2N3O and a molecular weight of 279.29 g/mol. Its IUPAC name is 5-[[3-(3,4-difluorophenoxy)azetidin-1-yl]methyl]-1-methylpyrazole.

Molecular Properties

Compound Name5-[[3-(3,4-difluorophenoxy)azetidin-1-yl]methyl]-1-methylpyrazole
PubChem CID134793644
Molecular FormulaC14H15F2N3O
Molecular Weight279.29 g/mol
Exact Mass279.12
IUPAC Name5-[[3-(3,4-difluorophenoxy)azetidin-1-yl]methyl]-1-methylpyrazole
SMILESCn1nccc1CN1CC(Oc2ccc(F)c(F)c2)C1
InChIInChI=1S/C14H15F2N3O/c1-18-10(4-5-17-18)7-19-8-12(9-19)20-11-2-3-13(15)14(16)6-11/h2-6,12H,7-9H2,1H3
InChIKeyQZUDOXWMPIIZAJ-UHFFFAOYSA-N
XLogP1.96
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-((3-(2-Fluoro-6-methoxyphenoxy)azetidin-1-yl)methyl)-5-methyl-1-phenyl-1H-pyrazole
CID 49862238
1-(3,5-dimethyl-1H-pyrazol-1-yl)-3-(4-fluorophenoxy)propan-2-ol
CID 22331396
1,5-Dimethyl-3-(phenoxymethyl)pyrazole
CID 82076625
1,3-Dimethyl-5-(phenoxymethyl)pyrazole
CID 65864346
3-[(2-Fluorophenoxy)methyl]-1-[(2-methylpyrazol-3-yl)methyl]piperidine
CID 46981141
2-[5-[1-[2-(2-Fluorophenoxy)ethyl]piperidin-4-yl]pyrazol-1-yl]ethanol
CID 51104597
2-[5-[1-[2-(3-Fluorophenoxy)ethyl]piperidin-4-yl]pyrazol-1-yl]ethanol
CID 51104619
2-[(3,5-Dimethylpyrazol-1-yl)methyl]-4-[2-(2-fluorophenoxy)ethyl]morpholine
CID 53555359
2-[(3,5-Dimethylpyrazol-1-yl)methyl]-4-[2-(3-fluorophenoxy)ethyl]morpholine
CID 53557129
N-[2-(4-fluorophenoxy)ethyl]-2-pyrazol-1-ylethanamine
CID 53626005
1-[3-(3,5-Dimethylpyrazol-1-yl)azetidin-1-yl]-3-(4-fluorophenoxy)propan-2-ol
CID 56781737
2-phenoxy-N-{2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]ethyl}propanamide
CID 71808016

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(3,4-difluorophenoxy)azetidin-1-yl]methyl]-1-methylpyrazole?
The IUPAC name of 5-[[3-(3,4-difluorophenoxy)azetidin-1-yl]methyl]-1-methylpyrazole (CID 134793644) is 5-[[3-(3,4-difluorophenoxy)azetidin-1-yl]methyl]-1-methylpyrazole.
What is the SMILES notation for 5-[[3-(3,4-difluorophenoxy)azetidin-1-yl]methyl]-1-methylpyrazole?
The canonical SMILES for 5-[[3-(3,4-difluorophenoxy)azetidin-1-yl]methyl]-1-methylpyrazole is Cn1nccc1CN1CC(Oc2ccc(F)c(F)c2)C1.
What is the InChIKey of 5-[[3-(3,4-difluorophenoxy)azetidin-1-yl]methyl]-1-methylpyrazole?
The InChIKey is QZUDOXWMPIIZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O/c1-18-10(4-5-17-18)7-19-8-12(9-19)20-11-2-3-13(15)14(16)6-11/h2-6,12H,7-9H2,1H3.
What are the key properties of 5-[[3-(3,4-difluorophenoxy)azetidin-1-yl]methyl]-1-methylpyrazole?
5-[[3-(3,4-difluorophenoxy)azetidin-1-yl]methyl]-1-methylpyrazole has a molecular weight of 279.29 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(3,4-difluorophenoxy)azetidin-1-yl]methyl]-1-methylpyrazole is sourced from PubChem (CID 134793644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).