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

C22H23N3O2S — CID 7484484

IUPAC3-(4-methoxyphenyl)-N-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide
SMILESCOc1ccc(CCC(=O)Nc2c3c(nn2-c2ccc(C)cc2)CSC3)cc1
InChIInChI=1S/C22H23N3O2S/c1-15-3-8-17(9-4-15)25-22(19-13-28-14-20(19)24-25)23-21(26)12-7-16-5-10-18(27-2)11-6-16/h3-6,8-11H,7,12-14H2,1-2H3,(H,23,26)
InChIKeyXPGLQAUPUMPUMS-UHFFFAOYSA-N
MW393.51 g/mol
LogP4.51
Rot. Bonds6

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

3-(4-methoxyphenyl)-N-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide (PubChem CID 7484484) has the molecular formula C22H23N3O2S and a molecular weight of 393.51 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide
PubChem CID7484484
Molecular FormulaC22H23N3O2S
Molecular Weight393.51 g/mol
Exact Mass393.15
IUPAC Name3-(4-methoxyphenyl)-N-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide
SMILESCOc1ccc(CCC(=O)Nc2c3c(nn2-c2ccc(C)cc2)CSC3)cc1
InChIInChI=1S/C22H23N3O2S/c1-15-3-8-17(9-4-15)25-22(19-13-28-14-20(19)24-25)23-21(26)12-7-16-5-10-18(27-2)11-6-16/h3-6,8-11H,7,12-14H2,1-2H3,(H,23,26)
InChIKeyXPGLQAUPUMPUMS-UHFFFAOYSA-N
XLogP4.51
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide
CID 7484286
N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-(4-methoxyphenyl)propanamide
CID 7200120
3-(4-methoxyphenyl)-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide
CID 7484337
N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-methylthiadiazole-5-carboxamide
CID 121030391
2-(4-fluorophenyl)sulfanyl-N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide
CID 121030395
5-bromo-N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]furan-2-carboxamide
CID 5177819
3-methoxy-N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-1-methylpyrazole-4-carboxamide
CID 121030397
N-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-phenylpropanamide
CID 4134790
N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-(3-methoxyphenyl)acetamide
CID 121030439
2-[[2-[[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]amino]-2-oxoacetyl]amino]ethyl-dimethylazanium
CID 7423919
2-(4-ethoxyphenyl)-N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide
CID 7484218
5-chloro-N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]thiophene-2-carboxamide
CID 121030408

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide (CID 7484484) is 3-(4-methoxyphenyl)-N-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide is COc1ccc(CCC(=O)Nc2c3c(nn2-c2ccc(C)cc2)CSC3)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide?
The InChIKey is XPGLQAUPUMPUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2S/c1-15-3-8-17(9-4-15)25-22(19-13-28-14-20(19)24-25)23-21(26)12-7-16-5-10-18(27-2)11-6-16/h3-6,8-11H,7,12-14H2,1-2H3,(H,23,26).
What are the key properties of 3-(4-methoxyphenyl)-N-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide?
3-(4-methoxyphenyl)-N-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide has a molecular weight of 393.51 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide is sourced from PubChem (CID 7484484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).