N-[(5R)-2-(2,4-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-phenylpropanamide

C22H23N3O2S — CID 11883543

IUPACN-[(5R)-2-(2,4-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-phenylpropanamide
SMILESCc1ccc(-n2nc3c(c2NC(=O)CCc2ccccc2)C[S@@](=O)C3)c(C)c1
InChIInChI=1S/C22H23N3O2S/c1-15-8-10-20(16(2)12-15)25-22(18-13-28(27)14-19(18)24-25)23-21(26)11-9-17-6-4-3-5-7-17/h3-8,10,12H,9,11,13-14H2,1-2H3,(H,23,26)/t28-/m1/s1
InChIKeyLSZRZWYAQVKKSE-MUUNZHRXSA-N
MW393.51 g/mol
LogP3.82
Rot. Bonds5

About N-[(5R)-2-(2,4-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-phenylpropanamide

N-[(5R)-2-(2,4-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-phenylpropanamide (PubChem CID 11883543) has the molecular formula C22H23N3O2S and a molecular weight of 393.51 g/mol. Its IUPAC name is N-[(5R)-2-(2,4-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[(5R)-2-(2,4-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-phenylpropanamide
PubChem CID11883543
Molecular FormulaC22H23N3O2S
Molecular Weight393.51 g/mol
Exact Mass393.15
IUPAC NameN-[(5R)-2-(2,4-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-phenylpropanamide
SMILESCc1ccc(-n2nc3c(c2NC(=O)CCc2ccccc2)C[S@@](=O)C3)c(C)c1
InChIInChI=1S/C22H23N3O2S/c1-15-8-10-20(16(2)12-15)25-22(18-13-28(27)14-19(18)24-25)23-21(26)11-9-17-6-4-3-5-7-17/h3-8,10,12H,9,11,13-14H2,1-2H3,(H,23,26)/t28-/m1/s1
InChIKeyLSZRZWYAQVKKSE-MUUNZHRXSA-N
XLogP3.82
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-benzoyl-N-[2-(2,4-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 3441790
2-cyclohexyl-N-[2-(2,4-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide
CID 2160206
N-[2-(2-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]butanamide
CID 756282
N-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-phenylpropanamide
CID 4134790
2-(4-chlorophenoxy)-N-[(5R)-2-(2,4-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide
CID 40856582
N-[2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]butanamide
CID 756276
5-bromo-2-chloro-N-[2-(2,4-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 3327471
N-[(5R)-2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-(3-methylphenyl)acetamide
CID 11877623
N-[(5R)-2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide
CID 40768412
N-[(5S)-2-(2,3-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]pentanamide
CID 11863819
N-[(5S)-2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-phenylacetamide
CID 11877682
3-cyclopentyl-N-[(5S)-2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide
CID 11863383

Frequently Asked Questions

What is the IUPAC name of N-[(5R)-2-(2,4-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-phenylpropanamide?
The IUPAC name of N-[(5R)-2-(2,4-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-phenylpropanamide (CID 11883543) is N-[(5R)-2-(2,4-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[(5R)-2-(2,4-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-phenylpropanamide?
The canonical SMILES for N-[(5R)-2-(2,4-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-phenylpropanamide is Cc1ccc(-n2nc3c(c2NC(=O)CCc2ccccc2)C[S@@](=O)C3)c(C)c1.
What is the InChIKey of N-[(5R)-2-(2,4-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-phenylpropanamide?
The InChIKey is LSZRZWYAQVKKSE-MUUNZHRXSA-N. The full InChI is InChI=1S/C22H23N3O2S/c1-15-8-10-20(16(2)12-15)25-22(18-13-28(27)14-19(18)24-25)23-21(26)11-9-17-6-4-3-5-7-17/h3-8,10,12H,9,11,13-14H2,1-2H3,(H,23,26)/t28-/m1/s1.
What are the key properties of N-[(5R)-2-(2,4-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-phenylpropanamide?
N-[(5R)-2-(2,4-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-phenylpropanamide has a molecular weight of 393.51 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5R)-2-(2,4-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-phenylpropanamide is sourced from PubChem (CID 11883543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).