3-(4-ethoxy-2-methylphenyl)-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide

C20H18F3N3O2 — CID 46942703

IUPAC3-(4-ethoxy-2-methylphenyl)-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide
SMILESCCOc1ccc(-c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)[nH]n2)c(C)c1
InChIInChI=1S/C20H18F3N3O2/c1-3-28-15-7-8-16(12(2)9-15)17-11-18(26-25-17)19(27)24-14-6-4-5-13(10-14)20(21,22)23/h4-11H,3H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyHDHWGOYRTBDUDG-UHFFFAOYSA-N
MW389.38 g/mol
LogP5.05
Rot. Bonds5

About 3-(4-ethoxy-2-methylphenyl)-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide

3-(4-ethoxy-2-methylphenyl)-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide (PubChem CID 46942703) has the molecular formula C20H18F3N3O2 and a molecular weight of 389.38 g/mol. Its IUPAC name is 3-(4-ethoxy-2-methylphenyl)-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-ethoxy-2-methylphenyl)-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide
PubChem CID46942703
Molecular FormulaC20H18F3N3O2
Molecular Weight389.38 g/mol
Exact Mass389.14
IUPAC Name3-(4-ethoxy-2-methylphenyl)-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide
SMILESCCOc1ccc(-c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)[nH]n2)c(C)c1
InChIInChI=1S/C20H18F3N3O2/c1-3-28-15-7-8-16(12(2)9-15)17-11-18(26-25-17)19(27)24-14-6-4-5-13(10-14)20(21,22)23/h4-11H,3H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyHDHWGOYRTBDUDG-UHFFFAOYSA-N
XLogP5.05
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.38
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Indenopyrazole 5h
CID 5329611
5-(2-hydroxy-4,5-dimethylphenyl)-N-(3-methylphenyl)-1H-pyrazole-3-carboxamide
CID 1848114
N-(2,5-dimethylphenyl)-3-(2-hydroxy-4,5-dimethylphenyl)-1H-pyrazole-5-carboxamide
CID 1964081
3-(4-ethoxyphenyl)-4,5-diphenyl-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one
CID 4205979
N-(3-methoxybenzyl)-5-(3-methoxyphenyl)-1H-pyrazole-3-carboxamide
CID 16022629
5-(4-Methoxy-phenyl)-2-phenyl-2H-pyrazole-3-carboxylic acid hydrazide
CID 2387114
N-(4-fluorophenyl)-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 16022607
3-(3,4-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 16022665
N-[3-[[4-[(4-ethylpiperazino)methyl]-3-(trifluoromethyl)phenyl]carbamoyl]-5-methoxy-phenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 16746139
(3-isopropoxyphenyl)(1-{[3-(trifluoromethyl)-1H-pyrazol-5-yl]carbonyl}-3-piperidinyl)methanone
CID 24790464
N-(4-tert-butylphenyl)-3-(5-fluoro-2-propan-2-yloxyphenyl)-1H-pyrazole-5-carboxamide
CID 49790308
N-[(4-fluorophenyl)methyl]-3-(4-methoxy-2-methylphenyl)-1H-pyrazole-5-carboxamide
CID 49790685

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxy-2-methylphenyl)-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-ethoxy-2-methylphenyl)-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide (CID 46942703) is 3-(4-ethoxy-2-methylphenyl)-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-ethoxy-2-methylphenyl)-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-ethoxy-2-methylphenyl)-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide is CCOc1ccc(-c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)[nH]n2)c(C)c1.
What is the InChIKey of 3-(4-ethoxy-2-methylphenyl)-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide?
The InChIKey is HDHWGOYRTBDUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O2/c1-3-28-15-7-8-16(12(2)9-15)17-11-18(26-25-17)19(27)24-14-6-4-5-13(10-14)20(21,22)23/h4-11H,3H2,1-2H3,(H,24,27)(H,25,26).
What are the key properties of 3-(4-ethoxy-2-methylphenyl)-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide?
3-(4-ethoxy-2-methylphenyl)-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide has a molecular weight of 389.38 g/mol, XLogP of 5.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxy-2-methylphenyl)-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 46942703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).