3-[(2-azido-4-fluorophenoxy)methyl]-1-methylpyrazole

C11H10FN5O — CID 169326343

IUPAC3-[(2-azido-4-fluorophenoxy)methyl]-1-methylpyrazole
SMILESCn1ccc(COc2ccc(F)cc2N=[N+]=[N-])n1
InChIInChI=1S/C11H10FN5O/c1-17-5-4-9(15-17)7-18-11-3-2-8(12)6-10(11)14-16-13/h2-6H,7H2,1H3
InChIKeyFBAHJMNIPAZSRD-UHFFFAOYSA-N
MW247.23 g/mol
LogP3.08
Rot. Bonds4

About 3-[(2-azido-4-fluorophenoxy)methyl]-1-methylpyrazole

3-[(2-azido-4-fluorophenoxy)methyl]-1-methylpyrazole (PubChem CID 169326343) has the molecular formula C11H10FN5O and a molecular weight of 247.23 g/mol. Its IUPAC name is 3-[(2-azido-4-fluorophenoxy)methyl]-1-methylpyrazole.

Molecular Properties

Compound Name3-[(2-azido-4-fluorophenoxy)methyl]-1-methylpyrazole
PubChem CID169326343
Molecular FormulaC11H10FN5O
Molecular Weight247.23 g/mol
Exact Mass247.09
IUPAC Name3-[(2-azido-4-fluorophenoxy)methyl]-1-methylpyrazole
SMILESCn1ccc(COc2ccc(F)cc2N=[N+]=[N-])n1
InChIInChI=1S/C11H10FN5O/c1-17-5-4-9(15-17)7-18-11-3-2-8(12)6-10(11)14-16-13/h2-6H,7H2,1H3
InChIKeyFBAHJMNIPAZSRD-UHFFFAOYSA-N
XLogP3.08
TPSA75.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.23
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 3-[(2-azido-4-fluorophenoxy)methyl]-1-methylpyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-fluoro-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]boronic acid
CID 82870154
3-[[4-fluoro-2-(furan-2-yl)phenoxy]methyl]-1-methylpyrazole
CID 168528058
2-[5-fluoro-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]isoindole-1,3-dione
CID 168519285
3-fluoro-4-[(1-methylpyrazol-3-yl)methoxy]benzenesulfonyl chloride
CID 82865967
3-fluoro-4-[(1-methylpyrazol-3-yl)methoxy]benzenesulfonamide
CID 82870377
[4-fluoro-3-[(1-methylpyrazol-3-yl)methoxy]phenyl]boronic acid
CID 114674723
2,3-difluoro-4-[(1-methylpyrazol-3-yl)methoxy]benzenesulfonamide
CID 82870156
[3-methyl-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]boronic acid
CID 82870264
(1R)-1-[3-methyl-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]ethanol
CID 113387010
3-[[2-(chloromethyl)-4-fluorophenoxy]methyl]-1-propan-2-ylpyrazole
CID 107698895
3-chloro-4-[(1-methylpyrazol-3-yl)methoxy]benzaldehyde
CID 82865855
3-[4-fluoro-3-[(1-methylpyrazol-3-yl)methoxy]phenyl]prop-2-yn-1-ol
CID 114675290

Frequently Asked Questions

What is the IUPAC name of 3-[(2-azido-4-fluorophenoxy)methyl]-1-methylpyrazole?
The IUPAC name of 3-[(2-azido-4-fluorophenoxy)methyl]-1-methylpyrazole (CID 169326343) is 3-[(2-azido-4-fluorophenoxy)methyl]-1-methylpyrazole.
What is the SMILES notation for 3-[(2-azido-4-fluorophenoxy)methyl]-1-methylpyrazole?
The canonical SMILES for 3-[(2-azido-4-fluorophenoxy)methyl]-1-methylpyrazole is Cn1ccc(COc2ccc(F)cc2N=[N+]=[N-])n1.
What is the InChIKey of 3-[(2-azido-4-fluorophenoxy)methyl]-1-methylpyrazole?
The InChIKey is FBAHJMNIPAZSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN5O/c1-17-5-4-9(15-17)7-18-11-3-2-8(12)6-10(11)14-16-13/h2-6H,7H2,1H3.
What are the key properties of 3-[(2-azido-4-fluorophenoxy)methyl]-1-methylpyrazole?
3-[(2-azido-4-fluorophenoxy)methyl]-1-methylpyrazole has a molecular weight of 247.23 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-azido-4-fluorophenoxy)methyl]-1-methylpyrazole is sourced from PubChem (CID 169326343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).