5-[3-[2-(4-chlorophenoxy)ethoxy]phenyl]-1-methylpyrazole

C18H17ClN2O2 — CID 138471333

IUPAC5-[3-[2-(4-chlorophenoxy)ethoxy]phenyl]-1-methylpyrazole
SMILESCn1nccc1-c1cccc(OCCOc2ccc(Cl)cc2)c1
InChIInChI=1S/C18H17ClN2O2/c1-21-18(9-10-20-21)14-3-2-4-17(13-14)23-12-11-22-16-7-5-15(19)6-8-16/h2-10,13H,11-12H2,1H3
InChIKeyMFFNVARKRNIHMO-UHFFFAOYSA-N
MW328.80 g/mol
LogP4.20
Rot. Bonds6

About 5-[3-[2-(4-chlorophenoxy)ethoxy]phenyl]-1-methylpyrazole

5-[3-[2-(4-chlorophenoxy)ethoxy]phenyl]-1-methylpyrazole (PubChem CID 138471333) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is 5-[3-[2-(4-chlorophenoxy)ethoxy]phenyl]-1-methylpyrazole.

Molecular Properties

Compound Name5-[3-[2-(4-chlorophenoxy)ethoxy]phenyl]-1-methylpyrazole
PubChem CID138471333
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC Name5-[3-[2-(4-chlorophenoxy)ethoxy]phenyl]-1-methylpyrazole
SMILESCn1nccc1-c1cccc(OCCOc2ccc(Cl)cc2)c1
InChIInChI=1S/C18H17ClN2O2/c1-21-18(9-10-20-21)14-3-2-4-17(13-14)23-12-11-22-16-7-5-15(19)6-8-16/h2-10,13H,11-12H2,1H3
InChIKeyMFFNVARKRNIHMO-UHFFFAOYSA-N
XLogP4.20
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[3-[2-(4-chlorophenoxy)ethoxy]phenyl]-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

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
1-(4-Chlorophenoxy)-3-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl-methylamino]propan-2-ol
CID 46927888
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
5-(4-Butoxy-phenyl)-1-methyl-1H-pyrazole
CID 11195591
4-(2-(3-(1-cyclopropyl-1H-pyrazol-5-yl)-4-fluorophenoxy) ethoxy)-3-fluorobenzonitrile
CID 138471295
3-fluoro-4-(2-(4-fluoro-3-(1-methyl-1H-pyrazol-5-yl)phenoxy)ethoxy) benzonitrile
CID 138471305
4-(2-(3-(1-cyclopropyl-1H-pyrazol-5-yl)phenoxy)ethoxy)-3-fluorobenzonitrile
CID 138471316
4-(2-(3-fluoro-5-(1-methyl-1H-pyrazol-5-yl)phenoxy)ethoxy) benzonitrile
CID 138471327
3-fluoro-4-(2-(3-(1-methyl-1H-pyrazol-5-yl)phenoxy)ethoxy) benzonitrile
CID 138471328

Frequently Asked Questions

What is the IUPAC name of 5-[3-[2-(4-chlorophenoxy)ethoxy]phenyl]-1-methylpyrazole?
The IUPAC name of 5-[3-[2-(4-chlorophenoxy)ethoxy]phenyl]-1-methylpyrazole (CID 138471333) is 5-[3-[2-(4-chlorophenoxy)ethoxy]phenyl]-1-methylpyrazole.
What is the SMILES notation for 5-[3-[2-(4-chlorophenoxy)ethoxy]phenyl]-1-methylpyrazole?
The canonical SMILES for 5-[3-[2-(4-chlorophenoxy)ethoxy]phenyl]-1-methylpyrazole is Cn1nccc1-c1cccc(OCCOc2ccc(Cl)cc2)c1.
What is the InChIKey of 5-[3-[2-(4-chlorophenoxy)ethoxy]phenyl]-1-methylpyrazole?
The InChIKey is MFFNVARKRNIHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c1-21-18(9-10-20-21)14-3-2-4-17(13-14)23-12-11-22-16-7-5-15(19)6-8-16/h2-10,13H,11-12H2,1H3.
What are the key properties of 5-[3-[2-(4-chlorophenoxy)ethoxy]phenyl]-1-methylpyrazole?
5-[3-[2-(4-chlorophenoxy)ethoxy]phenyl]-1-methylpyrazole has a molecular weight of 328.80 g/mol, XLogP of 4.20, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[2-(4-chlorophenoxy)ethoxy]phenyl]-1-methylpyrazole is sourced from PubChem (CID 138471333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).