5-N-ethyl-1-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazole-3,5-dicarboxamide

C20H17F3N4O3 — CID 53322585

IUPAC5-N-ethyl-1-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazole-3,5-dicarboxamide
SMILESCCNC(=O)c1cc(C(N)=O)nn1-c1cccc(-c2ccccc2OC(F)(F)F)c1
InChIInChI=1S/C20H17F3N4O3/c1-2-25-19(29)16-11-15(18(24)28)26-27(16)13-7-5-6-12(10-13)14-8-3-4-9-17(14)30-20(21,22)23/h3-11H,2H2,1H3,(H2,24,28)(H,25,29)
InChIKeyCOYARYHUPVTNHQ-UHFFFAOYSA-N
MW418.38 g/mol
LogP3.29
Rot. Bonds6

About 5-N-ethyl-1-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazole-3,5-dicarboxamide

5-N-ethyl-1-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazole-3,5-dicarboxamide (PubChem CID 53322585) has the molecular formula C20H17F3N4O3 and a molecular weight of 418.38 g/mol. Its IUPAC name is 5-N-ethyl-1-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazole-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-ethyl-1-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazole-3,5-dicarboxamide
PubChem CID53322585
Molecular FormulaC20H17F3N4O3
Molecular Weight418.38 g/mol
Exact Mass418.13
IUPAC Name5-N-ethyl-1-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazole-3,5-dicarboxamide
SMILESCCNC(=O)c1cc(C(N)=O)nn1-c1cccc(-c2ccccc2OC(F)(F)F)c1
InChIInChI=1S/C20H17F3N4O3/c1-2-25-19(29)16-11-15(18(24)28)26-27(16)13-7-5-6-12(10-13)14-8-3-4-9-17(14)30-20(21,22)23/h3-11H,2H2,1H3,(H2,24,28)(H,25,29)
InChIKeyCOYARYHUPVTNHQ-UHFFFAOYSA-N
XLogP3.29
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.38
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;5-ethyl-1-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazole-3-carboxamide;methyl formate
CID 142952358
1-[3-[2-fluoro-6-(trifluoromethoxy)phenyl]phenyl]pyrazole-3,5-dicarboxamide
CID 53318774
5-methyl-2-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazole-3-carboxylic acid
CID 11360434
3-carbamoyl-4-ethyl-1-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazole-5-carboxylic acid
CID 69064223
1-methyl-5-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazole-3-carboxamide
CID 11302890
N-(methoxymethyl)-1-[3-[2-(trifluoromethoxy)phenyl]phenyl]imidazole-4-carboxamide
CID 67429505
1-[3-[4-fluoro-2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]pyrazole-3,5-dicarboxamide
CID 53326496
ethane;methyl 2-[5-ethyl-1-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazol-3-yl]-3-methylcyclopropane-1-carboxylate
CID 142952330
(2-methoxyphenyl)-[1-[3-[2-(trifluoromethoxy)phenyl]phenyl]imidazol-4-yl]methanone
CID 67429654
1-methyl-5-[5-methyl-1-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazol-3-yl]tetrazole
CID 11452347
5-methyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide
CID 11291743
N-(2-amino-2-oxoethyl)-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide
CID 11258549

Frequently Asked Questions

What is the IUPAC name of 5-N-ethyl-1-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazole-3,5-dicarboxamide?
The IUPAC name of 5-N-ethyl-1-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazole-3,5-dicarboxamide (CID 53322585) is 5-N-ethyl-1-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazole-3,5-dicarboxamide.
What is the SMILES notation for 5-N-ethyl-1-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazole-3,5-dicarboxamide?
The canonical SMILES for 5-N-ethyl-1-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazole-3,5-dicarboxamide is CCNC(=O)c1cc(C(N)=O)nn1-c1cccc(-c2ccccc2OC(F)(F)F)c1.
What is the InChIKey of 5-N-ethyl-1-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazole-3,5-dicarboxamide?
The InChIKey is COYARYHUPVTNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O3/c1-2-25-19(29)16-11-15(18(24)28)26-27(16)13-7-5-6-12(10-13)14-8-3-4-9-17(14)30-20(21,22)23/h3-11H,2H2,1H3,(H2,24,28)(H,25,29).
What are the key properties of 5-N-ethyl-1-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazole-3,5-dicarboxamide?
5-N-ethyl-1-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazole-3,5-dicarboxamide has a molecular weight of 418.38 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-ethyl-1-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazole-3,5-dicarboxamide is sourced from PubChem (CID 53322585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).