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

C20H21F3N4OS — CID 43060829

IUPACN-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCC(c2ccsc2)N(C)C)cnn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H21F3N4OS/c1-13-17(19(28)24-11-18(26(2)3)14-7-8-29-12-14)10-25-27(13)16-6-4-5-15(9-16)20(21,22)23/h4-10,12,18H,11H2,1-3H3,(H,24,28)
InChIKeyQUZNCSVZXPXFPW-UHFFFAOYSA-N
MW422.48 g/mol
LogP4.29
Rot. Bonds6

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

N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide (PubChem CID 43060829) has the molecular formula C20H21F3N4OS and a molecular weight of 422.48 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
PubChem CID43060829
Molecular FormulaC20H21F3N4OS
Molecular Weight422.48 g/mol
Exact Mass422.14
IUPAC NameN-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCC(c2ccsc2)N(C)C)cnn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H21F3N4OS/c1-13-17(19(28)24-11-18(26(2)3)14-7-8-29-12-14)10-25-27(13)16-6-4-5-15(9-16)20(21,22)23/h4-10,12,18H,11H2,1-3H3,(H,24,28)
InChIKeyQUZNCSVZXPXFPW-UHFFFAOYSA-N
XLogP4.29
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 33089744
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-2-oxoacetamide
CID 46592151
N-ethyl-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 51335286
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-[[4-(dimethylamino)phenyl]methyl]-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 36746441
5-methyl-N-(2-thiophen-2-ylethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 36701413
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 42953745
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-4-(trifluoromethyl)benzamide
CID 16931137
N-[(2S)-1-aminopropan-2-yl]-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 120506039
(2R)-2-[[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]amino]propanoic acid
CID 119244624
N-[3-[ethylsulfonyl(methyl)amino]propyl]-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 55693687

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide (CID 43060829) is N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide is Cc1c(C(=O)NCC(c2ccsc2)N(C)C)cnn1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The InChIKey is QUZNCSVZXPXFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4OS/c1-13-17(19(28)24-11-18(26(2)3)14-7-8-29-12-14)10-25-27(13)16-6-4-5-15(9-16)20(21,22)23/h4-10,12,18H,11H2,1-3H3,(H,24,28).
What are the key properties of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide has a molecular weight of 422.48 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 43060829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).