N-(2,5-diethoxyphenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide

C21H20F3N3O3 — CID 18205806

IUPACN-(2,5-diethoxyphenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCCOc1ccc(OCC)c(NC(=O)c2cnn(-c3ccccc3)c2C(F)(F)F)c1
InChIInChI=1S/C21H20F3N3O3/c1-3-29-15-10-11-18(30-4-2)17(12-15)26-20(28)16-13-25-27(19(16)21(22,23)24)14-8-6-5-7-9-14/h5-13H,3-4H2,1-2H3,(H,26,28)
InChIKeyXRGJWUPVISYHRP-UHFFFAOYSA-N
MW419.40 g/mol
LogP4.94
Rot. Bonds7

About N-(2,5-diethoxyphenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide

N-(2,5-diethoxyphenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 18205806) has the molecular formula C21H20F3N3O3 and a molecular weight of 419.40 g/mol. Its IUPAC name is N-(2,5-diethoxyphenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-diethoxyphenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID18205806
Molecular FormulaC21H20F3N3O3
Molecular Weight419.40 g/mol
Exact Mass419.15
IUPAC NameN-(2,5-diethoxyphenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCCOc1ccc(OCC)c(NC(=O)c2cnn(-c3ccccc3)c2C(F)(F)F)c1
InChIInChI=1S/C21H20F3N3O3/c1-3-29-15-10-11-18(30-4-2)17(12-15)26-20(28)16-13-25-27(19(16)21(22,23)24)14-8-6-5-7-9-14/h5-13H,3-4H2,1-2H3,(H,26,28)
InChIKeyXRGJWUPVISYHRP-UHFFFAOYSA-N
XLogP4.94
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.40
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyclopropyl-N-(2,5-diethoxyphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 112819242
N-(2,5-diethoxyphenyl)-2-ethoxybenzamide
CID 43000684
N-(2,5-diethoxyphenyl)-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
CID 34741571
1-(4-methoxyphenyl)-N-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 141265511
N-(2,5-diethoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55664091
1-phenyl-N-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 24573002
N-(2-butoxy-5-methoxyphenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 55674807
N-(3-fluoro-4-methylphenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 16579165
1-(4-methylphenyl)-N-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 51284928
N-(4-chlorophenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 2807979
N-(5-chloro-2,4-dimethoxyphenyl)-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 24594336
N-(2,5-diethoxyphenyl)-2-ethylsulfonylbenzamide
CID 33182974

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxyphenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-(2,5-diethoxyphenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 18205806) is N-(2,5-diethoxyphenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(2,5-diethoxyphenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-(2,5-diethoxyphenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide is CCOc1ccc(OCC)c(NC(=O)c2cnn(-c3ccccc3)c2C(F)(F)F)c1.
What is the InChIKey of N-(2,5-diethoxyphenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is XRGJWUPVISYHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O3/c1-3-29-15-10-11-18(30-4-2)17(12-15)26-20(28)16-13-25-27(19(16)21(22,23)24)14-8-6-5-7-9-14/h5-13H,3-4H2,1-2H3,(H,26,28).
What are the key properties of N-(2,5-diethoxyphenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
N-(2,5-diethoxyphenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 419.40 g/mol, XLogP of 4.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxyphenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 18205806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).