4-[2-[3-(2-cyclopropylpyrazol-3-yl)phenoxy]ethoxy]-3-fluorobenzonitrile

C21H18FN3O2 — CID 138471316

IUPAC4-[2-[3-(2-cyclopropylpyrazol-3-yl)phenoxy]ethoxy]-3-fluorobenzonitrile
SMILESN#Cc1ccc(OCCOc2cccc(-c3ccnn3C3CC3)c2)c(F)c1
InChIInChI=1S/C21H18FN3O2/c22-19-12-15(14-23)4-7-21(19)27-11-10-26-18-3-1-2-16(13-18)20-8-9-24-25(20)17-5-6-17/h1-4,7-9,12-13,17H,5-6,10-11H2
InChIKeyVTFZITMILOAABX-UHFFFAOYSA-N
MW363.39 g/mol
LogP4.35
Rot. Bonds7

About 4-[2-[3-(2-cyclopropylpyrazol-3-yl)phenoxy]ethoxy]-3-fluorobenzonitrile

4-[2-[3-(2-cyclopropylpyrazol-3-yl)phenoxy]ethoxy]-3-fluorobenzonitrile (PubChem CID 138471316) has the molecular formula C21H18FN3O2 and a molecular weight of 363.39 g/mol. Its IUPAC name is 4-[2-[3-(2-cyclopropylpyrazol-3-yl)phenoxy]ethoxy]-3-fluorobenzonitrile.

Molecular Properties

Compound Name4-[2-[3-(2-cyclopropylpyrazol-3-yl)phenoxy]ethoxy]-3-fluorobenzonitrile
PubChem CID138471316
Molecular FormulaC21H18FN3O2
Molecular Weight363.39 g/mol
Exact Mass363.14
IUPAC Name4-[2-[3-(2-cyclopropylpyrazol-3-yl)phenoxy]ethoxy]-3-fluorobenzonitrile
SMILESN#Cc1ccc(OCCOc2cccc(-c3ccnn3C3CC3)c2)c(F)c1
InChIInChI=1S/C21H18FN3O2/c22-19-12-15(14-23)4-7-21(19)27-11-10-26-18-3-1-2-16(13-18)20-8-9-24-25(20)17-5-6-17/h1-4,7-9,12-13,17H,5-6,10-11H2
InChIKeyVTFZITMILOAABX-UHFFFAOYSA-N
XLogP4.35
TPSA60.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[2-[3-(2-cyclopropylpyrazol-3-yl)phenoxy]ethoxy]-3-fluorobenzonitrile 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-fluoro-4-[(2S)-1-[3-(2-methylpyrazol-3-yl)phenoxy]propan-2-yl]oxybenzonitrile
CID 138471321
3-Methoxy-4-[2-[3-(2-methylpyrazol-3-yl)phenoxy]ethoxy]benzonitrile
CID 138471340
2-(3-{2-[(4-fluorobenzyl)oxy]phenyl}-1H-pyrazol-1-yl)-1-ethanol
CID 1485523
3-[4-(4-Fluoro-phenoxy)-phenyl]-1-methyl-1H-pyrazole
CID 11242617
(1-Methylcyclopropyl) 4-[5-cyano-4-[(4-cyano-2-fluorophenoxy)methyl]pyrazol-1-yl]piperidine-1-carboxylate
CID 67606673
3-methyl-4-[(2S)-1-[3-(2-methylpyrazol-3-yl)phenoxy]propan-2-yl]oxybenzonitrile
CID 138471279
3-fluoro-4-((1-(3-(1-methyl-1H-pyrazol-5-yl)phenoxy)propan-2-yl)oxy)benzonitrile
CID 138471284
(R)-3-fluoro-4-((1-(3-(1-methyl-1H-pyrazol-5-yl)phenoxy)propan-2-yl)oxy)benzonitrile
CID 138471404
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-1H-pyrazole-4-carbonitrile
CID 977088
5-(4-Butoxy-phenyl)-1-methyl-1H-pyrazole
CID 11195591
3-fluoro-4-(2-((6-(1-methyl-1H-pyrazol-5-yl)pyridin-2-yl)oxy)ethoxy) benzonitrile
CID 138471285
4-(2-(3-(1-cyclopropyl-1H-pyrazol-5-yl)-4-fluorophenoxy) ethoxy)-3-fluorobenzonitrile
CID 138471295

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(2-cyclopropylpyrazol-3-yl)phenoxy]ethoxy]-3-fluorobenzonitrile?
The IUPAC name of 4-[2-[3-(2-cyclopropylpyrazol-3-yl)phenoxy]ethoxy]-3-fluorobenzonitrile (CID 138471316) is 4-[2-[3-(2-cyclopropylpyrazol-3-yl)phenoxy]ethoxy]-3-fluorobenzonitrile.
What is the SMILES notation for 4-[2-[3-(2-cyclopropylpyrazol-3-yl)phenoxy]ethoxy]-3-fluorobenzonitrile?
The canonical SMILES for 4-[2-[3-(2-cyclopropylpyrazol-3-yl)phenoxy]ethoxy]-3-fluorobenzonitrile is N#Cc1ccc(OCCOc2cccc(-c3ccnn3C3CC3)c2)c(F)c1.
What is the InChIKey of 4-[2-[3-(2-cyclopropylpyrazol-3-yl)phenoxy]ethoxy]-3-fluorobenzonitrile?
The InChIKey is VTFZITMILOAABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O2/c22-19-12-15(14-23)4-7-21(19)27-11-10-26-18-3-1-2-16(13-18)20-8-9-24-25(20)17-5-6-17/h1-4,7-9,12-13,17H,5-6,10-11H2.
What are the key properties of 4-[2-[3-(2-cyclopropylpyrazol-3-yl)phenoxy]ethoxy]-3-fluorobenzonitrile?
4-[2-[3-(2-cyclopropylpyrazol-3-yl)phenoxy]ethoxy]-3-fluorobenzonitrile has a molecular weight of 363.39 g/mol, XLogP of 4.35, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(2-cyclopropylpyrazol-3-yl)phenoxy]ethoxy]-3-fluorobenzonitrile is sourced from PubChem (CID 138471316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).