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

C17H14FN3OS2 — CID 3276415

IUPACN-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1c2c(nn1-c1ccc(F)cc1)CSC2
InChIInChI=1S/C17H14FN3OS2/c18-11-3-5-12(6-4-11)21-17(14-9-23-10-15(14)20-21)19-16(22)8-13-2-1-7-24-13/h1-7H,8-10H2,(H,19,22)
InChIKeyYEZLEXIDRCBOBU-UHFFFAOYSA-N
MW359.45 g/mol
LogP4.00
Rot. Bonds4

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

N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-thiophen-2-ylacetamide (PubChem CID 3276415) has the molecular formula C17H14FN3OS2 and a molecular weight of 359.45 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-thiophen-2-ylacetamide
PubChem CID3276415
Molecular FormulaC17H14FN3OS2
Molecular Weight359.45 g/mol
Exact Mass359.06
IUPAC NameN-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1c2c(nn1-c1ccc(F)cc1)CSC2
InChIInChI=1S/C17H14FN3OS2/c18-11-3-5-12(6-4-11)21-17(14-9-23-10-15(14)20-21)19-16(22)8-13-2-1-7-24-13/h1-7H,8-10H2,(H,19,22)
InChIKeyYEZLEXIDRCBOBU-UHFFFAOYSA-N
XLogP4.00
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-thiophen-2-ylacetamide?
The IUPAC name of N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-thiophen-2-ylacetamide (CID 3276415) is N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)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-thiophen-2-ylacetamide?
The InChIKey is YEZLEXIDRCBOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3OS2/c18-11-3-5-12(6-4-11)21-17(14-9-23-10-15(14)20-21)19-16(22)8-13-2-1-7-24-13/h1-7H,8-10H2,(H,19,22).
What are the key properties of N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-thiophen-2-ylacetamide?
N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-thiophen-2-ylacetamide has a molecular weight of 359.45 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 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-thiophen-2-ylacetamide is sourced from PubChem (CID 3276415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).