N-[3-cyano-5-(dimethylcarbamoyl)-4-methylthiophen-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide

C15H14F3N5O2S — CID 19575444

IUPACN-[3-cyano-5-(dimethylcarbamoyl)-4-methylthiophen-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCc1c(C(=O)N(C)C)sc(NC(=O)c2cc(C(F)(F)F)n(C)n2)c1C#N
InChIInChI=1S/C15H14F3N5O2S/c1-7-8(6-19)13(26-11(7)14(25)22(2)3)20-12(24)9-5-10(15(16,17)18)23(4)21-9/h5H,1-4H3,(H,20,24)
InChIKeyAXDVLNQOFWJLMG-UHFFFAOYSA-N
MW385.37 g/mol
LogP2.63
Rot. Bonds3

About N-[3-cyano-5-(dimethylcarbamoyl)-4-methylthiophen-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide

N-[3-cyano-5-(dimethylcarbamoyl)-4-methylthiophen-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide (PubChem CID 19575444) has the molecular formula C15H14F3N5O2S and a molecular weight of 385.37 g/mol. Its IUPAC name is N-[3-cyano-5-(dimethylcarbamoyl)-4-methylthiophen-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-cyano-5-(dimethylcarbamoyl)-4-methylthiophen-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
PubChem CID19575444
Molecular FormulaC15H14F3N5O2S
Molecular Weight385.37 g/mol
Exact Mass385.08
IUPAC NameN-[3-cyano-5-(dimethylcarbamoyl)-4-methylthiophen-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCc1c(C(=O)N(C)C)sc(NC(=O)c2cc(C(F)(F)F)n(C)n2)c1C#N
InChIInChI=1S/C15H14F3N5O2S/c1-7-8(6-19)13(26-11(7)14(25)22(2)3)20-12(24)9-5-10(15(16,17)18)23(4)21-9/h5H,1-4H3,(H,20,24)
InChIKeyAXDVLNQOFWJLMG-UHFFFAOYSA-N
XLogP2.63
TPSA91.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.37
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-cyano-5-(2-ethylbutanoylamino)-N,N,3-trimethylthiophene-2-carboxamide
CID 10402972
1-methyl-N-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 47001916
N-butan-2-yl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19267656
6-chloro-N-[3-cyano-5-(dimethylcarbamoyl)-4-methylthiophen-2-yl]-2-iminochromene-3-carboxamide
CID 19289184
5-[(5-chlorothiophene-2-carbonyl)amino]-4-cyano-N,N-diethyl-3-methylthiophene-2-carboxamide
CID 5107734
N-(2-chloro-4-fluorophenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 50945386
N-(3-chloro-4-methylphenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 47001423
4-cyano-N,N-diethyl-3-methyl-5-[(3-methylbenzoyl)amino]thiophene-2-carboxamide
CID 1040259
N,N'-bis[3-cyano-5-(diethylcarbamoyl)-4-methylthiophen-2-yl]butanediamide
CID 4609681
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 98331341
4-cyano-N,N-diethyl-3-methyl-5-[(3,4,5-triethoxybenzoyl)amino]thiophene-2-carboxamide
CID 3766067
1-methyl-N-[1-(oxolan-2-yl)ethyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 4770930

Frequently Asked Questions

What is the IUPAC name of N-[3-cyano-5-(dimethylcarbamoyl)-4-methylthiophen-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The IUPAC name of N-[3-cyano-5-(dimethylcarbamoyl)-4-methylthiophen-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide (CID 19575444) is N-[3-cyano-5-(dimethylcarbamoyl)-4-methylthiophen-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[3-cyano-5-(dimethylcarbamoyl)-4-methylthiophen-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The canonical SMILES for N-[3-cyano-5-(dimethylcarbamoyl)-4-methylthiophen-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide is Cc1c(C(=O)N(C)C)sc(NC(=O)c2cc(C(F)(F)F)n(C)n2)c1C#N.
What is the InChIKey of N-[3-cyano-5-(dimethylcarbamoyl)-4-methylthiophen-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The InChIKey is AXDVLNQOFWJLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N5O2S/c1-7-8(6-19)13(26-11(7)14(25)22(2)3)20-12(24)9-5-10(15(16,17)18)23(4)21-9/h5H,1-4H3,(H,20,24).
What are the key properties of N-[3-cyano-5-(dimethylcarbamoyl)-4-methylthiophen-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
N-[3-cyano-5-(dimethylcarbamoyl)-4-methylthiophen-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide has a molecular weight of 385.37 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyano-5-(dimethylcarbamoyl)-4-methylthiophen-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19575444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).