1-(2-chlorophenyl)-5-ethoxy-3-(trifluoromethyl)pyrazole;N-(4,5-dimethoxy-2-methylphenyl)formamide

C22H23ClF3N3O4 — CID 143695545

IUPAC1-(2-chlorophenyl)-5-ethoxy-3-(trifluoromethyl)pyrazole;N-(4,5-dimethoxy-2-methylphenyl)formamide
SMILESCCOc1cc(C(F)(F)F)nn1-c1ccccc1Cl.COc1cc(C)c(NC=O)cc1OC
InChIInChI=1S/C12H10ClF3N2O.C10H13NO3/c1-2-19-11-7-10(12(14,15)16)17-18(11)9-6-4-3-5-8(9)13;1-7-4-9(13-2)10(14-3)5-8(7)11-6-12/h3-7H,2H2,1H3;4-6H,1-3H3,(H,11,12)
InChIKeyMSMOQLLPQGHJBF-UHFFFAOYSA-N
MW485.89 g/mol
LogP5.52
Rot. Bonds7

About 1-(2-chlorophenyl)-5-ethoxy-3-(trifluoromethyl)pyrazole;N-(4,5-dimethoxy-2-methylphenyl)formamide

1-(2-chlorophenyl)-5-ethoxy-3-(trifluoromethyl)pyrazole;N-(4,5-dimethoxy-2-methylphenyl)formamide (PubChem CID 143695545) has the molecular formula C22H23ClF3N3O4 and a molecular weight of 485.89 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-5-ethoxy-3-(trifluoromethyl)pyrazole;N-(4,5-dimethoxy-2-methylphenyl)formamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-5-ethoxy-3-(trifluoromethyl)pyrazole;N-(4,5-dimethoxy-2-methylphenyl)formamide
PubChem CID143695545
Molecular FormulaC22H23ClF3N3O4
Molecular Weight485.89 g/mol
Exact Mass485.13
IUPAC Name1-(2-chlorophenyl)-5-ethoxy-3-(trifluoromethyl)pyrazole;N-(4,5-dimethoxy-2-methylphenyl)formamide
SMILESCCOc1cc(C(F)(F)F)nn1-c1ccccc1Cl.COc1cc(C)c(NC=O)cc1OC
InChIInChI=1S/C12H10ClF3N2O.C10H13NO3/c1-2-19-11-7-10(12(14,15)16)17-18(11)9-6-4-3-5-8(9)13;1-7-4-9(13-2)10(14-3)5-8(7)11-6-12/h3-7H,2H2,1H3;4-6H,1-3H3,(H,11,12)
InChIKeyMSMOQLLPQGHJBF-UHFFFAOYSA-N
XLogP5.52
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.89
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]oxy-N-(5-methoxy-2-methylphenyl)acetamide
CID 57458246
2-[2-(2-chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]oxy-N-[(3-methoxyphenyl)methyl]acetamide
CID 57458282
2-[2-(2-chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]oxy-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 57458283
2-[2-(2-chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]oxy-N-[[4-(4-methylphenoxy)phenyl]methyl]acetamide
CID 57458291
2-[2-(2-chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]oxy-N-(4,5-dimethoxy-2-methylphenyl)acetamide
CID 57458354
2-[2-(2-chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]oxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]acetamide
CID 57458363
2-[2-(2-chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]oxy-N-(4-methoxy-2-methylphenyl)acetamide
CID 57458411
2-[2-(2-chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]oxy-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 59240395
1-(2-chlorophenyl)-5-[(4-methylphenyl)methoxy]-3-(trifluoromethyl)pyrazole;formaldehyde;formamide;N-methylmethanamine
CID 143695074
1-(2-chlorophenyl)-5-ethoxy-3-(trifluoromethyl)pyrazole;ethane;N-(2-ethylphenyl)formamide
CID 143695174
2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[(4-phenoxyphenyl)methyl]acetamide;methane
CID 159584499
(E)-N-(4,5-dimethoxy-2-methylphenyl)-3-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]prop-2-enamide
CID 17555932

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-5-ethoxy-3-(trifluoromethyl)pyrazole;N-(4,5-dimethoxy-2-methylphenyl)formamide?
The IUPAC name of 1-(2-chlorophenyl)-5-ethoxy-3-(trifluoromethyl)pyrazole;N-(4,5-dimethoxy-2-methylphenyl)formamide (CID 143695545) is 1-(2-chlorophenyl)-5-ethoxy-3-(trifluoromethyl)pyrazole;N-(4,5-dimethoxy-2-methylphenyl)formamide.
What is the SMILES notation for 1-(2-chlorophenyl)-5-ethoxy-3-(trifluoromethyl)pyrazole;N-(4,5-dimethoxy-2-methylphenyl)formamide?
The canonical SMILES for 1-(2-chlorophenyl)-5-ethoxy-3-(trifluoromethyl)pyrazole;N-(4,5-dimethoxy-2-methylphenyl)formamide is CCOc1cc(C(F)(F)F)nn1-c1ccccc1Cl.COc1cc(C)c(NC=O)cc1OC.
What is the InChIKey of 1-(2-chlorophenyl)-5-ethoxy-3-(trifluoromethyl)pyrazole;N-(4,5-dimethoxy-2-methylphenyl)formamide?
The InChIKey is MSMOQLLPQGHJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF3N2O.C10H13NO3/c1-2-19-11-7-10(12(14,15)16)17-18(11)9-6-4-3-5-8(9)13;1-7-4-9(13-2)10(14-3)5-8(7)11-6-12/h3-7H,2H2,1H3;4-6H,1-3H3,(H,11,12).
What are the key properties of 1-(2-chlorophenyl)-5-ethoxy-3-(trifluoromethyl)pyrazole;N-(4,5-dimethoxy-2-methylphenyl)formamide?
1-(2-chlorophenyl)-5-ethoxy-3-(trifluoromethyl)pyrazole;N-(4,5-dimethoxy-2-methylphenyl)formamide has a molecular weight of 485.89 g/mol, XLogP of 5.52, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-5-ethoxy-3-(trifluoromethyl)pyrazole;N-(4,5-dimethoxy-2-methylphenyl)formamide is sourced from PubChem (CID 143695545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).