N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(trifluoromethyl)benzamide

C17H18F3N3OS — CID 5067051

IUPACN-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(trifluoromethyl)benzamide
SMILESCC(C)(C)n1nc2c(c1NC(=O)c1ccccc1C(F)(F)F)CSC2
InChIInChI=1S/C17H18F3N3OS/c1-16(2,3)23-14(11-8-25-9-13(11)22-23)21-15(24)10-6-4-5-7-12(10)17(18,19)20/h4-7H,8-9H2,1-3H3,(H,21,24)
InChIKeyARTGNFIIXUKJOH-UHFFFAOYSA-N
MW369.41 g/mol
LogP4.66
Rot. Bonds2

About N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(trifluoromethyl)benzamide

N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(trifluoromethyl)benzamide (PubChem CID 5067051) has the molecular formula C17H18F3N3OS and a molecular weight of 369.41 g/mol. Its IUPAC name is N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(trifluoromethyl)benzamide
PubChem CID5067051
Molecular FormulaC17H18F3N3OS
Molecular Weight369.41 g/mol
Exact Mass369.11
IUPAC NameN-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(trifluoromethyl)benzamide
SMILESCC(C)(C)n1nc2c(c1NC(=O)c1ccccc1C(F)(F)F)CSC2
InChIInChI=1S/C17H18F3N3OS/c1-16(2,3)23-14(11-8-25-9-13(11)22-23)21-15(24)10-6-4-5-7-12(10)17(18,19)20/h4-7H,8-9H2,1-3H3,(H,21,24)
InChIKeyARTGNFIIXUKJOH-UHFFFAOYSA-N
XLogP4.66
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.41
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-methoxybenzamide
CID 3495488
N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-(trifluoromethyl)benzamide
CID 4623702
4-tert-butyl-N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)benzamide
CID 5175415
N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-chloro-4-fluorobenzamide
CID 121030665
N-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-fluorobenzamide
CID 3634270
N-[(5R)-2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-iodobenzamide
CID 41060057
N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 121030663
N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 121030671
1-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-(4-methoxyphenyl)urea
CID 4550397
N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)pentanamide
CID 4225476
N'-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-N-propyloxamide
CID 7685459
N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)thiophene-2-carboxamide
CID 756307

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(trifluoromethyl)benzamide?
The IUPAC name of N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(trifluoromethyl)benzamide (CID 5067051) is N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(trifluoromethyl)benzamide is CC(C)(C)n1nc2c(c1NC(=O)c1ccccc1C(F)(F)F)CSC2.
What is the InChIKey of N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(trifluoromethyl)benzamide?
The InChIKey is ARTGNFIIXUKJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3OS/c1-16(2,3)23-14(11-8-25-9-13(11)22-23)21-15(24)10-6-4-5-7-12(10)17(18,19)20/h4-7H,8-9H2,1-3H3,(H,21,24).
What are the key properties of N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(trifluoromethyl)benzamide?
N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(trifluoromethyl)benzamide has a molecular weight of 369.41 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 5067051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).