1-(2-fluorophenyl)-N-[4-(2-methoxyethoxy)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide

C20H17F4N3O3 — CID 112821605

IUPAC1-(2-fluorophenyl)-N-[4-(2-methoxyethoxy)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCOCCOc1ccc(NC(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)cc1
InChIInChI=1S/C20H17F4N3O3/c1-29-10-11-30-14-8-6-13(7-9-14)26-19(28)15-12-25-27(18(15)20(22,23)24)17-5-3-2-4-16(17)21/h2-9,12H,10-11H2,1H3,(H,26,28)
InChIKeySUSMWTUVBZWODU-UHFFFAOYSA-N
MW423.37 g/mol
LogP4.31
Rot. Bonds7

About 1-(2-fluorophenyl)-N-[4-(2-methoxyethoxy)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide

1-(2-fluorophenyl)-N-[4-(2-methoxyethoxy)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 112821605) has the molecular formula C20H17F4N3O3 and a molecular weight of 423.37 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[4-(2-methoxyethoxy)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[4-(2-methoxyethoxy)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID112821605
Molecular FormulaC20H17F4N3O3
Molecular Weight423.37 g/mol
Exact Mass423.12
IUPAC Name1-(2-fluorophenyl)-N-[4-(2-methoxyethoxy)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCOCCOc1ccc(NC(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)cc1
InChIInChI=1S/C20H17F4N3O3/c1-29-10-11-30-14-8-6-13(7-9-14)26-19(28)15-12-25-27(18(15)20(22,23)24)17-5-3-2-4-16(17)21/h2-9,12H,10-11H2,1H3,(H,26,28)
InChIKeySUSMWTUVBZWODU-UHFFFAOYSA-N
XLogP4.31
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.37
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-fluorophenyl)-N-[6-(2-methoxyethoxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112820470
N-(3,4-dipropoxyphenyl)-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112813782
N-[4-(2-amino-2-oxoethoxy)phenyl]-1-(2-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 55608969
N-[6-(diethylamino)-3-pyridinyl]-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112833718
N-[3-(3-cyanopropoxy)phenyl]-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112846112
1-(2-fluorophenyl)-N-[4-(1,2,4-oxadiazol-3-yl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 136522603
2-fluoro-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 17340482
1-(2-fluorophenyl)-N-[3-[2-methoxyethyl(methyl)amino]propyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112822501
N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112822481
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112821285
N-(5-bromo-2-pyridinyl)-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112813800
1-(2-fluorophenyl)-N-(4-piperidin-1-ylsulfonylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112813716

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[4-(2-methoxyethoxy)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-[4-(2-methoxyethoxy)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 112821605) is 1-(2-fluorophenyl)-N-[4-(2-methoxyethoxy)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[4-(2-methoxyethoxy)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-[4-(2-methoxyethoxy)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide is COCCOc1ccc(NC(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)cc1.
What is the InChIKey of 1-(2-fluorophenyl)-N-[4-(2-methoxyethoxy)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is SUSMWTUVBZWODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F4N3O3/c1-29-10-11-30-14-8-6-13(7-9-14)26-19(28)15-12-25-27(18(15)20(22,23)24)17-5-3-2-4-16(17)21/h2-9,12H,10-11H2,1H3,(H,26,28).
What are the key properties of 1-(2-fluorophenyl)-N-[4-(2-methoxyethoxy)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
1-(2-fluorophenyl)-N-[4-(2-methoxyethoxy)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 423.37 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[4-(2-methoxyethoxy)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 112821605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).