4,5-dimethyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]thiophene-2-carboxamide

C12H12F3N3OS — CID 19585436

IUPAC4,5-dimethyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]thiophene-2-carboxamide
SMILESCc1cc(C(=O)Nc2c(C(F)(F)F)n[nH]c2C)sc1C
InChIInChI=1S/C12H12F3N3OS/c1-5-4-8(20-7(5)3)11(19)16-9-6(2)17-18-10(9)12(13,14)15/h4H,1-3H3,(H,16,19)(H,17,18)
InChIKeyIBJCJBHWSWSPKK-UHFFFAOYSA-N
MW303.31 g/mol
LogP3.67
Rot. Bonds2

About 4,5-dimethyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]thiophene-2-carboxamide

4,5-dimethyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]thiophene-2-carboxamide (PubChem CID 19585436) has the molecular formula C12H12F3N3OS and a molecular weight of 303.31 g/mol. Its IUPAC name is 4,5-dimethyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dimethyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]thiophene-2-carboxamide
PubChem CID19585436
Molecular FormulaC12H12F3N3OS
Molecular Weight303.31 g/mol
Exact Mass303.07
IUPAC Name4,5-dimethyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]thiophene-2-carboxamide
SMILESCc1cc(C(=O)Nc2c(C(F)(F)F)n[nH]c2C)sc1C
InChIInChI=1S/C12H12F3N3OS/c1-5-4-8(20-7(5)3)11(19)16-9-6(2)17-18-10(9)12(13,14)15/h4H,1-3H3,(H,16,19)(H,17,18)
InChIKeyIBJCJBHWSWSPKK-UHFFFAOYSA-N
XLogP3.67
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]thiophene-2-carboxamide?
The IUPAC name of 4,5-dimethyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]thiophene-2-carboxamide (CID 19585436) is 4,5-dimethyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dimethyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]thiophene-2-carboxamide?
The canonical SMILES for 4,5-dimethyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]thiophene-2-carboxamide is Cc1cc(C(=O)Nc2c(C(F)(F)F)n[nH]c2C)sc1C.
What is the InChIKey of 4,5-dimethyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]thiophene-2-carboxamide?
The InChIKey is IBJCJBHWSWSPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3OS/c1-5-4-8(20-7(5)3)11(19)16-9-6(2)17-18-10(9)12(13,14)15/h4H,1-3H3,(H,16,19)(H,17,18).
What are the key properties of 4,5-dimethyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]thiophene-2-carboxamide?
4,5-dimethyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]thiophene-2-carboxamide has a molecular weight of 303.31 g/mol, XLogP of 3.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 19585436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).