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

C20H18FN3O2S — CID 7484198

IUPACN-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)Nc1c2c(nn1-c1ccc(F)cc1)CSC2
InChIInChI=1S/C20H18FN3O2S/c1-13-4-2-3-5-18(13)26-10-19(25)22-20-16-11-27-12-17(16)23-24(20)15-8-6-14(21)7-9-15/h2-9H,10-12H2,1H3,(H,22,25)
InChIKeyLCKOHDYSBNDALO-UHFFFAOYSA-N
MW383.45 g/mol
LogP4.08
Rot. Bonds5

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

N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-(2-methylphenoxy)acetamide (PubChem CID 7484198) has the molecular formula C20H18FN3O2S and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-(2-methylphenoxy)acetamide
PubChem CID7484198
Molecular FormulaC20H18FN3O2S
Molecular Weight383.45 g/mol
Exact Mass383.11
IUPAC NameN-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)Nc1c2c(nn1-c1ccc(F)cc1)CSC2
InChIInChI=1S/C20H18FN3O2S/c1-13-4-2-3-5-18(13)26-10-19(25)22-20-16-11-27-12-17(16)23-24(20)15-8-6-14(21)7-9-15/h2-9H,10-12H2,1H3,(H,22,25)
InChIKeyLCKOHDYSBNDALO-UHFFFAOYSA-N
XLogP4.08
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.08
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-(2-methylphenoxy)acetamide?
The IUPAC name of N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-(2-methylphenoxy)acetamide (CID 7484198) is N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-(2-methylphenoxy)acetamide is Cc1ccccc1OCC(=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-methylphenoxy)acetamide?
The InChIKey is LCKOHDYSBNDALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2S/c1-13-4-2-3-5-18(13)26-10-19(25)22-20-16-11-27-12-17(16)23-24(20)15-8-6-14(21)7-9-15/h2-9H,10-12H2,1H3,(H,22,25).
What are the key properties of N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-(2-methylphenoxy)acetamide?
N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-(2-methylphenoxy)acetamide has a molecular weight of 383.45 g/mol, XLogP of 4.08, 5 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-(2-methylphenoxy)acetamide is sourced from PubChem (CID 7484198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).