3-(difluoromethyl)-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoyl azide

C13H11F2N5O2 — CID 160731270

IUPAC3-(difluoromethyl)-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoyl azide
SMILESCn1ccc(OCc2c(C(=O)N=[N+]=[N-])cccc2C(F)F)n1
InChIInChI=1S/C13H11F2N5O2/c1-20-6-5-11(18-20)22-7-10-8(12(14)15)3-2-4-9(10)13(21)17-19-16/h2-6,12H,7H2,1H3
InChIKeyRUJGYPDEPBEYGM-UHFFFAOYSA-N
MW307.26 g/mol
LogP3.39
Rot. Bonds5

About 3-(difluoromethyl)-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoyl azide

3-(difluoromethyl)-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoyl azide (PubChem CID 160731270) has the molecular formula C13H11F2N5O2 and a molecular weight of 307.26 g/mol. Its IUPAC name is 3-(difluoromethyl)-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoyl azide.

Molecular Properties

Compound Name3-(difluoromethyl)-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoyl azide
PubChem CID160731270
Molecular FormulaC13H11F2N5O2
Molecular Weight307.26 g/mol
Exact Mass307.09
IUPAC Name3-(difluoromethyl)-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoyl azide
SMILESCn1ccc(OCc2c(C(=O)N=[N+]=[N-])cccc2C(F)F)n1
InChIInChI=1S/C13H11F2N5O2/c1-20-6-5-11(18-20)22-7-10-8(12(14)15)3-2-4-9(10)13(21)17-19-16/h2-6,12H,7H2,1H3
InChIKeyRUJGYPDEPBEYGM-UHFFFAOYSA-N
XLogP3.39
TPSA92.88 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.26
LogP ≤ 53.39
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-(difluoromethyl)-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoyl azide 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-bromo-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoyl azide
CID 159780699
2-[(butan-2-ylideneamino)oxymethyl]-3-(difluoromethyl)benzoyl azide
CID 118459622
3-(difluoromethyl)-2-[(1-sulfanylpyrazol-3-yl)oxymethyl]benzoyl chloride
CID 155217944
2-[(1-hydroxypyrazol-3-yl)oxymethyl]-3-propan-2-yloxybenzoyl azide
CID 126579883
2-[(1-hydroxypyrazol-3-yl)oxymethyl]-3-(trifluoromethoxy)benzoyl azide
CID 126579472
3-ethoxy-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoyl chloride
CID 161470695
methyl 3-methyl-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoate
CID 138495699
methyl 3-bromo-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoate
CID 158573209
ethyl 3-fluoro-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoate
CID 159383303
propyl 3-(difluoromethoxy)-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoate
CID 159704171
N-bromo-3-chloro-2-[(1-methylpyrazol-3-yl)oxymethyl]benzamide
CID 147911483
3-bromo-N-chloro-2-[(1-methylpyrazol-3-yl)oxymethyl]benzamide
CID 159230943

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoyl azide?
The IUPAC name of 3-(difluoromethyl)-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoyl azide (CID 160731270) is 3-(difluoromethyl)-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoyl azide.
What is the SMILES notation for 3-(difluoromethyl)-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoyl azide?
The canonical SMILES for 3-(difluoromethyl)-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoyl azide is Cn1ccc(OCc2c(C(=O)N=[N+]=[N-])cccc2C(F)F)n1.
What is the InChIKey of 3-(difluoromethyl)-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoyl azide?
The InChIKey is RUJGYPDEPBEYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N5O2/c1-20-6-5-11(18-20)22-7-10-8(12(14)15)3-2-4-9(10)13(21)17-19-16/h2-6,12H,7H2,1H3.
What are the key properties of 3-(difluoromethyl)-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoyl azide?
3-(difluoromethyl)-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoyl azide has a molecular weight of 307.26 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoyl azide is sourced from PubChem (CID 160731270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).