N-(2,4-difluorophenyl)-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide

C14H8F5N3OS — CID 1471453

IUPACN-(2,4-difluorophenyl)-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCn1nc(C(F)(F)F)c2cc(C(=O)Nc3ccc(F)cc3F)sc21
InChIInChI=1S/C14H8F5N3OS/c1-22-13-7(11(21-22)14(17,18)19)5-10(24-13)12(23)20-9-3-2-6(15)4-8(9)16/h2-5H,1H3,(H,20,23)
InChIKeyLMUHSGPJTTZBGO-UHFFFAOYSA-N
MW361.30 g/mol
LogP4.18
Rot. Bonds2

About N-(2,4-difluorophenyl)-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide

N-(2,4-difluorophenyl)-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 1471453) has the molecular formula C14H8F5N3OS and a molecular weight of 361.30 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
PubChem CID1471453
Molecular FormulaC14H8F5N3OS
Molecular Weight361.30 g/mol
Exact Mass361.03
IUPAC NameN-(2,4-difluorophenyl)-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCn1nc(C(F)(F)F)c2cc(C(=O)Nc3ccc(F)cc3F)sc21
InChIInChI=1S/C14H8F5N3OS/c1-22-13-7(11(21-22)14(17,18)19)5-10(24-13)12(23)20-9-3-2-6(15)4-8(9)16/h2-5H,1H3,(H,20,23)
InChIKeyLMUHSGPJTTZBGO-UHFFFAOYSA-N
XLogP4.18
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.30
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide (CID 1471453) is N-(2,4-difluorophenyl)-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide is Cn1nc(C(F)(F)F)c2cc(C(=O)Nc3ccc(F)cc3F)sc21.
What is the InChIKey of N-(2,4-difluorophenyl)-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is LMUHSGPJTTZBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F5N3OS/c1-22-13-7(11(21-22)14(17,18)19)5-10(24-13)12(23)20-9-3-2-6(15)4-8(9)16/h2-5H,1H3,(H,20,23).
What are the key properties of N-(2,4-difluorophenyl)-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide?
N-(2,4-difluorophenyl)-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 361.30 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 1471453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).