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

C15H16FN3OS — CID 5204594

IUPACN-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1c2c(nn1-c1ccc(F)cc1)CSC2
InChIInChI=1S/C15H16FN3OS/c1-9(2)15(20)17-14-12-7-21-8-13(12)18-19(14)11-5-3-10(16)4-6-11/h3-6,9H,7-8H2,1-2H3,(H,17,20)
InChIKeyPVOBPUVNYIESFT-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.35
Rot. Bonds3

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

N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-methylpropanamide (PubChem CID 5204594) has the molecular formula C15H16FN3OS and a molecular weight of 305.38 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-methylpropanamide
PubChem CID5204594
Molecular FormulaC15H16FN3OS
Molecular Weight305.38 g/mol
Exact Mass305.10
IUPAC NameN-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1c2c(nn1-c1ccc(F)cc1)CSC2
InChIInChI=1S/C15H16FN3OS/c1-9(2)15(20)17-14-12-7-21-8-13(12)18-19(14)11-5-3-10(16)4-6-11/h3-6,9H,7-8H2,1-2H3,(H,17,20)
InChIKeyPVOBPUVNYIESFT-UHFFFAOYSA-N
XLogP3.35
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.35
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-methylpropanamide?
The IUPAC name of N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-methylpropanamide (CID 5204594) is N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-methylpropanamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-methylpropanamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-methylpropanamide is CC(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-methylpropanamide?
The InChIKey is PVOBPUVNYIESFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3OS/c1-9(2)15(20)17-14-12-7-21-8-13(12)18-19(14)11-5-3-10(16)4-6-11/h3-6,9H,7-8H2,1-2H3,(H,17,20).
What are the key properties of N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-methylpropanamide?
N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-methylpropanamide has a molecular weight of 305.38 g/mol, XLogP of 3.35, 3 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-methylpropanamide is sourced from PubChem (CID 5204594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).