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

C16H17ClFN3OS — CID 121030665

IUPACN-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-chloro-4-fluorobenzamide
SMILESCC(C)(C)n1nc2c(c1NC(=O)c1ccc(F)cc1Cl)CSC2
InChIInChI=1S/C16H17ClFN3OS/c1-16(2,3)21-14(11-7-23-8-13(11)20-21)19-15(22)10-5-4-9(18)6-12(10)17/h4-6H,7-8H2,1-3H3,(H,19,22)
InChIKeyDJGPOXJFRFKIFR-UHFFFAOYSA-N
MW353.85 g/mol
LogP4.43
Rot. Bonds2

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

N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-chloro-4-fluorobenzamide (PubChem CID 121030665) has the molecular formula C16H17ClFN3OS and a molecular weight of 353.85 g/mol. Its IUPAC name is N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-chloro-4-fluorobenzamide.

Molecular Properties

Compound NameN-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-chloro-4-fluorobenzamide
PubChem CID121030665
Molecular FormulaC16H17ClFN3OS
Molecular Weight353.85 g/mol
Exact Mass353.08
IUPAC NameN-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-chloro-4-fluorobenzamide
SMILESCC(C)(C)n1nc2c(c1NC(=O)c1ccc(F)cc1Cl)CSC2
InChIInChI=1S/C16H17ClFN3OS/c1-16(2,3)21-14(11-7-23-8-13(11)20-21)19-15(22)10-5-4-9(18)6-12(10)17/h4-6H,7-8H2,1-3H3,(H,19,22)
InChIKeyDJGPOXJFRFKIFR-UHFFFAOYSA-N
XLogP4.43
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-fluoro-N-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 121030527
N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(trifluoromethyl)benzamide
CID 5067051
N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3,4-dimethoxybenzamide
CID 3632782
1-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-(4-methoxyphenyl)urea
CID 4550397
2-chloro-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 4577716
2,4-difluoro-N-[2-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 30862789
N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 121030671
N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-methoxybenzamide
CID 5235402
2-chloro-4-fluoro-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)benzamide
CID 30007109
N-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-fluorobenzamide
CID 3634271
2,5-dichloro-N-[2-(3-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 4208067
N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 121030663

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-chloro-4-fluorobenzamide?
The IUPAC name of N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-chloro-4-fluorobenzamide (CID 121030665) is N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-chloro-4-fluorobenzamide.
What is the SMILES notation for N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-chloro-4-fluorobenzamide?
The canonical SMILES for N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-chloro-4-fluorobenzamide is CC(C)(C)n1nc2c(c1NC(=O)c1ccc(F)cc1Cl)CSC2.
What is the InChIKey of N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-chloro-4-fluorobenzamide?
The InChIKey is DJGPOXJFRFKIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN3OS/c1-16(2,3)21-14(11-7-23-8-13(11)20-21)19-15(22)10-5-4-9(18)6-12(10)17/h4-6H,7-8H2,1-3H3,(H,19,22).
What are the key properties of N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-chloro-4-fluorobenzamide?
N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-chloro-4-fluorobenzamide has a molecular weight of 353.85 g/mol, XLogP of 4.43, 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-chloro-4-fluorobenzamide is sourced from PubChem (CID 121030665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).