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

C22H23N3O2S — CID 7484337

IUPAC3-(4-methoxyphenyl)-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide
SMILESCOc1ccc(CCC(=O)Nc2c3c(nn2-c2ccccc2C)CSC3)cc1
InChIInChI=1S/C22H23N3O2S/c1-15-5-3-4-6-20(15)25-22(18-13-28-14-19(18)24-25)23-21(26)12-9-16-7-10-17(27-2)11-8-16/h3-8,10-11H,9,12-14H2,1-2H3,(H,23,26)
InChIKeyLVNTZPYCZLBKLT-UHFFFAOYSA-N
MW393.51 g/mol
LogP4.51
Rot. Bonds6

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

3-(4-methoxyphenyl)-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide (PubChem CID 7484337) has the molecular formula C22H23N3O2S and a molecular weight of 393.51 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide
PubChem CID7484337
Molecular FormulaC22H23N3O2S
Molecular Weight393.51 g/mol
Exact Mass393.15
IUPAC Name3-(4-methoxyphenyl)-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide
SMILESCOc1ccc(CCC(=O)Nc2c3c(nn2-c2ccccc2C)CSC3)cc1
InChIInChI=1S/C22H23N3O2S/c1-15-5-3-4-6-20(15)25-22(18-13-28-14-19(18)24-25)23-21(26)12-9-16-7-10-17(27-2)11-8-16/h3-8,10-11H,9,12-14H2,1-2H3,(H,23,26)
InChIKeyLVNTZPYCZLBKLT-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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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide (CID 7484337) is 3-(4-methoxyphenyl)-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide is COc1ccc(CCC(=O)Nc2c3c(nn2-c2ccccc2C)CSC3)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide?
The InChIKey is LVNTZPYCZLBKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2S/c1-15-5-3-4-6-20(15)25-22(18-13-28-14-19(18)24-25)23-21(26)12-9-16-7-10-17(27-2)11-8-16/h3-8,10-11H,9,12-14H2,1-2H3,(H,23,26).
What are the key properties of 3-(4-methoxyphenyl)-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide?
3-(4-methoxyphenyl)-N-[2-(2-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-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide is sourced from PubChem (CID 7484337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).