5-methyl-N-(2-thiophen-2-ylethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide

C18H16F3N3OS — CID 36701413

IUPAC5-methyl-N-(2-thiophen-2-ylethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCCc2cccs2)cnn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H16F3N3OS/c1-12-16(17(25)22-8-7-15-6-3-9-26-15)11-23-24(12)14-5-2-4-13(10-14)18(19,20)21/h2-6,9-11H,7-8H2,1H3,(H,22,25)
InChIKeyVHCMYKMMWXNIOE-UHFFFAOYSA-N
MW379.41 g/mol
LogP4.23
Rot. Bonds5

About 5-methyl-N-(2-thiophen-2-ylethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide

5-methyl-N-(2-thiophen-2-ylethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide (PubChem CID 36701413) has the molecular formula C18H16F3N3OS and a molecular weight of 379.41 g/mol. Its IUPAC name is 5-methyl-N-(2-thiophen-2-ylethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(2-thiophen-2-ylethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
PubChem CID36701413
Molecular FormulaC18H16F3N3OS
Molecular Weight379.41 g/mol
Exact Mass379.10
IUPAC Name5-methyl-N-(2-thiophen-2-ylethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCCc2cccs2)cnn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H16F3N3OS/c1-12-16(17(25)22-8-7-15-6-3-9-26-15)11-23-24(12)14-5-2-4-13(10-14)18(19,20)21/h2-6,9-11H,7-8H2,1H3,(H,22,25)
InChIKeyVHCMYKMMWXNIOE-UHFFFAOYSA-N
XLogP4.23
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 119384459
N-(2-aminoethyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide;hydrochloride
CID 119384458
N-ethyl-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 51335286
5-methyl-N-(2-pyridin-3-ylethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 30768894
N-[3-[ethylsulfonyl(methyl)amino]propyl]-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 55693687
5-methyl-N-[4-(propylcarbamoyl)phenyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 55893687
N-(2,6-diethylphenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 46514572
5-methyl-N-[4-(4-methylpiperidin-1-yl)butyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 55716702
N-[(2S)-1-aminopropan-2-yl]-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 120506039
(2S)-3-methyl-2-[[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]amino]butanoic acid
CID 119360282
N-[[4-(dimethylamino)phenyl]methyl]-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 36746441
(2R)-2-[[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]amino]propanoic acid
CID 119244624

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-thiophen-2-ylethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of 5-methyl-N-(2-thiophen-2-ylethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide (CID 36701413) is 5-methyl-N-(2-thiophen-2-ylethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-(2-thiophen-2-ylethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-(2-thiophen-2-ylethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide is Cc1c(C(=O)NCCc2cccs2)cnn1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-methyl-N-(2-thiophen-2-ylethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The InChIKey is VHCMYKMMWXNIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3OS/c1-12-16(17(25)22-8-7-15-6-3-9-26-15)11-23-24(12)14-5-2-4-13(10-14)18(19,20)21/h2-6,9-11H,7-8H2,1H3,(H,22,25).
What are the key properties of 5-methyl-N-(2-thiophen-2-ylethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
5-methyl-N-(2-thiophen-2-ylethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide has a molecular weight of 379.41 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-thiophen-2-ylethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 36701413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).