4-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-2-carboxamide

C12H12F3N3OS — CID 71808006

IUPAC4-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-2-carboxamide
SMILESCc1csc(C(=O)NCCn2ccc(C(F)(F)F)n2)c1
InChIInChI=1S/C12H12F3N3OS/c1-8-6-9(20-7-8)11(19)16-3-5-18-4-2-10(17-18)12(13,14)15/h2,4,6-7H,3,5H2,1H3,(H,16,19)
InChIKeyDHYBGWPGVADKEZ-UHFFFAOYSA-N
MW303.31 g/mol
LogP2.70
Rot. Bonds4

About 4-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-2-carboxamide

4-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-2-carboxamide (PubChem CID 71808006) has the molecular formula C12H12F3N3OS and a molecular weight of 303.31 g/mol. Its IUPAC name is 4-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-2-carboxamide
PubChem CID71808006
Molecular FormulaC12H12F3N3OS
Molecular Weight303.31 g/mol
Exact Mass303.07
IUPAC Name4-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-2-carboxamide
SMILESCc1csc(C(=O)NCCn2ccc(C(F)(F)F)n2)c1
InChIInChI=1S/C12H12F3N3OS/c1-8-6-9(20-7-8)11(19)16-3-5-18-4-2-10(17-18)12(13,14)15/h2,4,6-7H,3,5H2,1H3,(H,16,19)
InChIKeyDHYBGWPGVADKEZ-UHFFFAOYSA-N
XLogP2.70
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-2-carboxamide?
The IUPAC name of 4-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-2-carboxamide (CID 71808006) is 4-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-2-carboxamide?
The canonical SMILES for 4-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-2-carboxamide is Cc1csc(C(=O)NCCn2ccc(C(F)(F)F)n2)c1.
What is the InChIKey of 4-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-2-carboxamide?
The InChIKey is DHYBGWPGVADKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3OS/c1-8-6-9(20-7-8)11(19)16-3-5-18-4-2-10(17-18)12(13,14)15/h2,4,6-7H,3,5H2,1H3,(H,16,19).
What are the key properties of 4-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-2-carboxamide?
4-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-2-carboxamide has a molecular weight of 303.31 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 71808006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).