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

C21H20FN3O2S — CID 7200120

IUPACN-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2c3c(nn2-c2ccc(F)cc2)CSC3)cc1
InChIInChI=1S/C21H20FN3O2S/c1-27-17-9-2-14(3-10-17)4-11-20(26)23-21-18-12-28-13-19(18)24-25(21)16-7-5-15(22)6-8-16/h2-3,5-10H,4,11-13H2,1H3,(H,23,26)
InChIKeyXWVURPMJJGFYJA-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.34
Rot. Bonds6

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

N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-(4-methoxyphenyl)propanamide (PubChem CID 7200120) has the molecular formula C21H20FN3O2S and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-(4-methoxyphenyl)propanamide
PubChem CID7200120
Molecular FormulaC21H20FN3O2S
Molecular Weight397.48 g/mol
Exact Mass397.13
IUPAC NameN-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2c3c(nn2-c2ccc(F)cc2)CSC3)cc1
InChIInChI=1S/C21H20FN3O2S/c1-27-17-9-2-14(3-10-17)4-11-20(26)23-21-18-12-28-13-19(18)24-25(21)16-7-5-15(22)6-8-16/h2-3,5-10H,4,11-13H2,1H3,(H,23,26)
InChIKeyXWVURPMJJGFYJA-UHFFFAOYSA-N
XLogP4.34
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-(4-methoxyphenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide
CID 7484286
3-(4-methoxyphenyl)-N-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide
CID 7484484
2-(4-fluorophenyl)sulfanyl-N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide
CID 121030395
3-(4-methoxyphenyl)-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide
CID 7484337
2-(4-ethoxyphenyl)-N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide
CID 7484218
ethyl 4-[[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]amino]-4-oxobutanoate
CID 7484180
N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,3-dimethylbutanamide
CID 7484177
N-[2-(3,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-(4-fluorophenyl)acetamide
CID 4133470
N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-methoxybenzamide
CID 5235402
5-bromo-N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]furan-2-carboxamide
CID 5177819
N-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-(4-methoxyphenyl)acetamide
CID 2160305
N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-(trifluoromethyl)benzamide
CID 40868561

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-(4-methoxyphenyl)propanamide (CID 7200120) is N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-(4-methoxyphenyl)propanamide is COc1ccc(CCC(=O)Nc2c3c(nn2-c2ccc(F)cc2)CSC3)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-(4-methoxyphenyl)propanamide?
The InChIKey is XWVURPMJJGFYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2S/c1-27-17-9-2-14(3-10-17)4-11-20(26)23-21-18-12-28-13-19(18)24-25(21)16-7-5-15(22)6-8-16/h2-3,5-10H,4,11-13H2,1H3,(H,23,26).
What are the key properties of N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-(4-methoxyphenyl)propanamide?
N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-(4-methoxyphenyl)propanamide has a molecular weight of 397.48 g/mol, XLogP of 4.34, 6 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]-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 7200120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).