1-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-3-(ethoxymethyl)-5-methylpyrazole

C21H21Cl2FN2O2 — CID 143038980

IUPAC1-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-3-(ethoxymethyl)-5-methylpyrazole
SMILESCCOCc1cc(C)n(Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2F)n1
InChIInChI=1S/C21H21Cl2FN2O2/c1-3-27-13-19-8-14(2)26(25-19)11-16-9-17(22)6-7-21(16)28-12-15-4-5-18(23)10-20(15)24/h4-10H,3,11-13H2,1-2H3
InChIKeyPBLBEEUMAUVPEG-UHFFFAOYSA-N
MW423.32 g/mol
LogP5.80
Rot. Bonds8

About 1-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-3-(ethoxymethyl)-5-methylpyrazole

1-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-3-(ethoxymethyl)-5-methylpyrazole (PubChem CID 143038980) has the molecular formula C21H21Cl2FN2O2 and a molecular weight of 423.32 g/mol. Its IUPAC name is 1-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-3-(ethoxymethyl)-5-methylpyrazole.

Molecular Properties

Compound Name1-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-3-(ethoxymethyl)-5-methylpyrazole
PubChem CID143038980
Molecular FormulaC21H21Cl2FN2O2
Molecular Weight423.32 g/mol
Exact Mass422.10
IUPAC Name1-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-3-(ethoxymethyl)-5-methylpyrazole
SMILESCCOCc1cc(C)n(Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2F)n1
InChIInChI=1S/C21H21Cl2FN2O2/c1-3-27-13-19-8-14(2)26(25-19)11-16-9-17(22)6-7-21(16)28-12-15-4-5-18(23)10-20(15)24/h4-10H,3,11-13H2,1-2H3
InChIKeyPBLBEEUMAUVPEG-UHFFFAOYSA-N
XLogP5.80
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.32
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-3-(ethoxymethyl)-5-methylpyrazole with MolForge

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Related Compounds

1-[[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]methyl]-5-methylpyrazole-3-carboxylic acid
CID 11383800
ethyl 1-[[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]methyl]-5-methylpyrazole-3-carboximidate;hydrochloride
CID 68910067
1-[[2-(bromomethyl)-4-chlorophenoxy]methyl]-4-chloro-2-fluorobenzene
CID 89437045
N-[[1-[(5-chloro-2-phenylmethoxyphenyl)methyl]-5-methylpyrazol-3-yl]methoxy]benzamide
CID 140539404
1-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-5-methylpyrazole
CID 141319425
ethyl 1-[[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]methyl]-5-methylpyrrole-3-carboxylate
CID 58832815
ethyl 1-[[5-chloro-2-[(4-methoxyphenyl)methoxy]phenyl]methyl]-5-methylpyrazole-3-carboxylate
CID 86688726
[1-[[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]methyl]-5-methylpyrazol-3-yl]-(piperidin-4-ylmethyl)carbamic acid;hydrochloride
CID 68908566
sodium 1-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]-5-methylpyrazole-3-carboxylate
CID 23696344
4-chloro-1-(2-ethoxyethoxymethyl)-2-fluorobenzene
CID 170255219
tert-butyl-[[1-[(5-chloro-2-phenylmethoxyphenyl)methyl]-5-methylpyrazol-3-yl]methyl]carbamic acid
CID 68910317
[1-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-3-(hydroxymethyl)indazol-4-yl] hydrogen carbonate
CID 129068920

Frequently Asked Questions

What is the IUPAC name of 1-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-3-(ethoxymethyl)-5-methylpyrazole?
The IUPAC name of 1-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-3-(ethoxymethyl)-5-methylpyrazole (CID 143038980) is 1-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-3-(ethoxymethyl)-5-methylpyrazole.
What is the SMILES notation for 1-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-3-(ethoxymethyl)-5-methylpyrazole?
The canonical SMILES for 1-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-3-(ethoxymethyl)-5-methylpyrazole is CCOCc1cc(C)n(Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2F)n1.
What is the InChIKey of 1-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-3-(ethoxymethyl)-5-methylpyrazole?
The InChIKey is PBLBEEUMAUVPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2FN2O2/c1-3-27-13-19-8-14(2)26(25-19)11-16-9-17(22)6-7-21(16)28-12-15-4-5-18(23)10-20(15)24/h4-10H,3,11-13H2,1-2H3.
What are the key properties of 1-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-3-(ethoxymethyl)-5-methylpyrazole?
1-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-3-(ethoxymethyl)-5-methylpyrazole has a molecular weight of 423.32 g/mol, XLogP of 5.80, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-3-(ethoxymethyl)-5-methylpyrazole is sourced from PubChem (CID 143038980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).