N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2,2-dimethylpropanamide

C16H18FN3OS — CID 4110361

IUPACN-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1c2c(nn1-c1ccc(F)cc1)CSC2
InChIInChI=1S/C16H18FN3OS/c1-16(2,3)15(21)18-14-12-8-22-9-13(12)19-20(14)11-6-4-10(17)5-7-11/h4-7H,8-9H2,1-3H3,(H,18,21)
InChIKeyGKTWZSSLHGEQLI-UHFFFAOYSA-N
MW319.40 g/mol
LogP3.74
Rot. Bonds2

About N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2,2-dimethylpropanamide

N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2,2-dimethylpropanamide (PubChem CID 4110361) has the molecular formula C16H18FN3OS and a molecular weight of 319.40 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2,2-dimethylpropanamide
PubChem CID4110361
Molecular FormulaC16H18FN3OS
Molecular Weight319.40 g/mol
Exact Mass319.12
IUPAC NameN-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1c2c(nn1-c1ccc(F)cc1)CSC2
InChIInChI=1S/C16H18FN3OS/c1-16(2,3)15(21)18-14-12-8-22-9-13(12)19-20(14)11-6-4-10(17)5-7-11/h4-7H,8-9H2,1-3H3,(H,18,21)
InChIKeyGKTWZSSLHGEQLI-UHFFFAOYSA-N
XLogP3.74
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2,2-dimethylpropanamide (CID 4110361) is N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1c2c(nn1-c1ccc(F)cc1)CSC2.
What is the InChIKey of N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2,2-dimethylpropanamide?
The InChIKey is GKTWZSSLHGEQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3OS/c1-16(2,3)15(21)18-14-12-8-22-9-13(12)19-20(14)11-6-4-10(17)5-7-11/h4-7H,8-9H2,1-3H3,(H,18,21).
What are the key properties of N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2,2-dimethylpropanamide?
N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2,2-dimethylpropanamide has a molecular weight of 319.40 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 4110361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).