N,N-dimethyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-carboxamide

C12H12F3N3OS — CID 2819922

IUPACN,N-dimethyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-carboxamide
SMILESCN(C)C(=O)c1ccc(-c2cc(C(F)(F)F)nn2C)s1
InChIInChI=1S/C12H12F3N3OS/c1-17(2)11(19)9-5-4-8(20-9)7-6-10(12(13,14)15)16-18(7)3/h4-6H,1-3H3
InChIKeyXHKAHVBJKZYPHW-UHFFFAOYSA-N
MW303.31 g/mol
LogP2.87
Rot. Bonds2

About N,N-dimethyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-carboxamide

N,N-dimethyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-carboxamide (PubChem CID 2819922) has the molecular formula C12H12F3N3OS and a molecular weight of 303.31 g/mol. Its IUPAC name is N,N-dimethyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-carboxamide
PubChem CID2819922
Molecular FormulaC12H12F3N3OS
Molecular Weight303.31 g/mol
Exact Mass303.07
IUPAC NameN,N-dimethyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-carboxamide
SMILESCN(C)C(=O)c1ccc(-c2cc(C(F)(F)F)nn2C)s1
InChIInChI=1S/C12H12F3N3OS/c1-17(2)11(19)9-5-4-8(20-9)7-6-10(12(13,14)15)16-18(7)3/h4-6H,1-3H3
InChIKeyXHKAHVBJKZYPHW-UHFFFAOYSA-N
XLogP2.87
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-hydroxy-5-(1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)thiophene-2-carboxamide
CID 44418141
Thiophene-2-carboxamide, 5-(3-trifluoromethyl-1-methyl-5-pyrazolyl)-N-methyl-
CID 621265
Thiophene-2-carboxamide, 5-(5-trifluoromethyl-1-methyl-3-pyrazolyl)-N,N-dimethyl-
CID 621268
N-[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-carboxamide
CID 2819932
2-benzoyl-3-{5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-2-thienyl}acrylonitrile
CID 5715773
(5Z)-3-ethyl-5-[[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 44367072
5-(2,5-Dimethylthiophen-3-yl)-1-methylpyrazole-3-carboxamide
CID 118715046
5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-phenylthiophene-2-carboxamide
CID 3801312
Thiophene-2-carboxamide, 5-(5-trifluoromethyl-1-methyl-3-pyrazolyl)-
CID 621259
N-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide
CID 3797050
2-fluoro-N-[5-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]benzamide
CID 56847745
2,6-difluoro-N-[5-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]benzamide
CID 56847746

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-carboxamide?
The IUPAC name of N,N-dimethyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-carboxamide (CID 2819922) is N,N-dimethyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-carboxamide?
The canonical SMILES for N,N-dimethyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-carboxamide is CN(C)C(=O)c1ccc(-c2cc(C(F)(F)F)nn2C)s1.
What is the InChIKey of N,N-dimethyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-carboxamide?
The InChIKey is XHKAHVBJKZYPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3OS/c1-17(2)11(19)9-5-4-8(20-9)7-6-10(12(13,14)15)16-18(7)3/h4-6H,1-3H3.
What are the key properties of N,N-dimethyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-carboxamide?
N,N-dimethyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-carboxamide has a molecular weight of 303.31 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-carboxamide is sourced from PubChem (CID 2819922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).