3-azido-1-[1-(3-fluorophenyl)-2,5-dimethylpyrrol-3-yl]propane-1,2-diol

C15H17FN4O2 — CID 170827413

IUPAC3-azido-1-[1-(3-fluorophenyl)-2,5-dimethylpyrrol-3-yl]propane-1,2-diol
SMILESCc1cc(C(O)C(O)CN=[N+]=[N-])c(C)n1-c1cccc(F)c1
InChIInChI=1S/C15H17FN4O2/c1-9-6-13(15(22)14(21)8-18-19-17)10(2)20(9)12-5-3-4-11(16)7-12/h3-7,14-15,21-22H,8H2,1-2H3
InChIKeyHMFXPSZGDLKIIY-UHFFFAOYSA-N
MW304.33 g/mol
LogP2.94
Rot. Bonds5

About 3-azido-1-[1-(3-fluorophenyl)-2,5-dimethylpyrrol-3-yl]propane-1,2-diol

3-azido-1-[1-(3-fluorophenyl)-2,5-dimethylpyrrol-3-yl]propane-1,2-diol (PubChem CID 170827413) has the molecular formula C15H17FN4O2 and a molecular weight of 304.33 g/mol. Its IUPAC name is 3-azido-1-[1-(3-fluorophenyl)-2,5-dimethylpyrrol-3-yl]propane-1,2-diol.

Molecular Properties

Compound Name3-azido-1-[1-(3-fluorophenyl)-2,5-dimethylpyrrol-3-yl]propane-1,2-diol
PubChem CID170827413
Molecular FormulaC15H17FN4O2
Molecular Weight304.33 g/mol
Exact Mass304.13
IUPAC Name3-azido-1-[1-(3-fluorophenyl)-2,5-dimethylpyrrol-3-yl]propane-1,2-diol
SMILESCc1cc(C(O)C(O)CN=[N+]=[N-])c(C)n1-c1cccc(F)c1
InChIInChI=1S/C15H17FN4O2/c1-9-6-13(15(22)14(21)8-18-19-17)10(2)20(9)12-5-3-4-11(16)7-12/h3-7,14-15,21-22H,8H2,1-2H3
InChIKeyHMFXPSZGDLKIIY-UHFFFAOYSA-N
XLogP2.94
TPSA94.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'pyrrole_A(118)', '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-azido-1-[1-(3-fluorophenyl)-2,5-dimethylpyrrol-3-yl]propane-1,2-diol 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

3-azido-1-(2-fluoro-3-methoxyphenyl)propane-1,2-diol
CID 170827247
1-(2,5-dimethyl-1-phenylpyrrol-3-yl)propane-1,2,3-triol
CID 170819208
2-(3-azido-1,2-dihydroxypropyl)-5-fluorobenzoic acid
CID 170826303
3-azido-1-[3-(3,5-dimethylpyrazol-1-yl)phenyl]propane-1,2-diol
CID 170826996
3-azido-1-(6-fluoro-2-methyl-3-pyridinyl)propane-1,2-diol
CID 170825728
2-azido-1-(3-fluorophenyl)ethanol
CID 83093254
1-(4-amino-2-fluoro-5-methylphenyl)-3-azidopropane-1,2-diol
CID 170826043
3-azido-1-(2-chloro-4-fluoro-3-methylphenyl)propane-1,2-diol
CID 170825868
3-azido-1-(4-methylnaphthalen-1-yl)propane-1,2-diol
CID 170826749
3-azido-1-(5-bromo-2-fluorophenyl)propane-1,2-diol
CID 170827097
3-azido-1-(2,3,5,6-tetrafluorophenyl)propane-1,2-diol
CID 170826276
3-azido-1-(2-fluoro-4,5-dimethoxyphenyl)propane-1,2-diol
CID 170827269

Frequently Asked Questions

What is the IUPAC name of 3-azido-1-[1-(3-fluorophenyl)-2,5-dimethylpyrrol-3-yl]propane-1,2-diol?
The IUPAC name of 3-azido-1-[1-(3-fluorophenyl)-2,5-dimethylpyrrol-3-yl]propane-1,2-diol (CID 170827413) is 3-azido-1-[1-(3-fluorophenyl)-2,5-dimethylpyrrol-3-yl]propane-1,2-diol.
What is the SMILES notation for 3-azido-1-[1-(3-fluorophenyl)-2,5-dimethylpyrrol-3-yl]propane-1,2-diol?
The canonical SMILES for 3-azido-1-[1-(3-fluorophenyl)-2,5-dimethylpyrrol-3-yl]propane-1,2-diol is Cc1cc(C(O)C(O)CN=[N+]=[N-])c(C)n1-c1cccc(F)c1.
What is the InChIKey of 3-azido-1-[1-(3-fluorophenyl)-2,5-dimethylpyrrol-3-yl]propane-1,2-diol?
The InChIKey is HMFXPSZGDLKIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O2/c1-9-6-13(15(22)14(21)8-18-19-17)10(2)20(9)12-5-3-4-11(16)7-12/h3-7,14-15,21-22H,8H2,1-2H3.
What are the key properties of 3-azido-1-[1-(3-fluorophenyl)-2,5-dimethylpyrrol-3-yl]propane-1,2-diol?
3-azido-1-[1-(3-fluorophenyl)-2,5-dimethylpyrrol-3-yl]propane-1,2-diol has a molecular weight of 304.33 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azido-1-[1-(3-fluorophenyl)-2,5-dimethylpyrrol-3-yl]propane-1,2-diol is sourced from PubChem (CID 170827413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).