1-methyl-N-(2-methylphenyl)-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide

C15H12F3N3OS — CID 29096728

IUPAC1-methyl-N-(2-methylphenyl)-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1ccccc1NC(=O)c1cc2c(C(F)(F)F)nn(C)c2s1
InChIInChI=1S/C15H12F3N3OS/c1-8-5-3-4-6-10(8)19-13(22)11-7-9-12(15(16,17)18)20-21(2)14(9)23-11/h3-7H,1-2H3,(H,19,22)
InChIKeyQXDLTSFJZFWEOH-UHFFFAOYSA-N
MW339.34 g/mol
LogP4.21
Rot. Bonds2

About 1-methyl-N-(2-methylphenyl)-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide

1-methyl-N-(2-methylphenyl)-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 29096728) has the molecular formula C15H12F3N3OS and a molecular weight of 339.34 g/mol. Its IUPAC name is 1-methyl-N-(2-methylphenyl)-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(2-methylphenyl)-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
PubChem CID29096728
Molecular FormulaC15H12F3N3OS
Molecular Weight339.34 g/mol
Exact Mass339.07
IUPAC Name1-methyl-N-(2-methylphenyl)-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1ccccc1NC(=O)c1cc2c(C(F)(F)F)nn(C)c2s1
InChIInChI=1S/C15H12F3N3OS/c1-8-5-3-4-6-10(8)19-13(22)11-7-9-12(15(16,17)18)20-21(2)14(9)23-11/h3-7H,1-2H3,(H,19,22)
InChIKeyQXDLTSFJZFWEOH-UHFFFAOYSA-N
XLogP4.21
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.34
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-2-methylphenyl)-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 171314963
N-(2-ethyl-5-methylpyrazol-3-yl)-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 19617203
1-methyl-N-[4-(3-methylpyrazol-1-yl)phenyl]-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 29097500
N-(2-ethylphenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 51304599
ethyl 2-[2-[[1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carbonyl]amino]-1,3-thiazol-4-yl]acetate
CID 19617230
N-isoquinolin-4-yl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 71907690
N-[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazol-4-yl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 29092780
1-methyl-N-[1-(1-methylpyrazol-3-yl)ethyl]-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 44821551
1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 44821658
1-methyl-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 29096851
propan-2-yl 2-[[1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 19617156
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 29097873

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-methylphenyl)-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-(2-methylphenyl)-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide (CID 29096728) is 1-methyl-N-(2-methylphenyl)-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-(2-methylphenyl)-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-(2-methylphenyl)-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide is Cc1ccccc1NC(=O)c1cc2c(C(F)(F)F)nn(C)c2s1.
What is the InChIKey of 1-methyl-N-(2-methylphenyl)-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is QXDLTSFJZFWEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3OS/c1-8-5-3-4-6-10(8)19-13(22)11-7-9-12(15(16,17)18)20-21(2)14(9)23-11/h3-7H,1-2H3,(H,19,22).
What are the key properties of 1-methyl-N-(2-methylphenyl)-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide?
1-methyl-N-(2-methylphenyl)-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 339.34 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-methylphenyl)-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 29096728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).