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

C22H23N3O2S — CID 5056426

IUPACN-[2-(2,3-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2c3c(nn2-c2cccc(C)c2C)CS(=O)C3)cc1C
InChIInChI=1S/C22H23N3O2S/c1-13-8-9-17(10-15(13)3)22(26)23-21-18-11-28(27)12-19(18)24-25(21)20-7-5-6-14(2)16(20)4/h5-10H,11-12H2,1-4H3,(H,23,26)
InChIKeyFVLVRIDLMPMYMV-UHFFFAOYSA-N
MW393.51 g/mol
LogP4.12
Rot. Bonds3

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

N-[2-(2,3-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,4-dimethylbenzamide (PubChem CID 5056426) has the molecular formula C22H23N3O2S and a molecular weight of 393.51 g/mol. Its IUPAC name is N-[2-(2,3-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-(2,3-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,4-dimethylbenzamide
PubChem CID5056426
Molecular FormulaC22H23N3O2S
Molecular Weight393.51 g/mol
Exact Mass393.15
IUPAC NameN-[2-(2,3-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2c3c(nn2-c2cccc(C)c2C)CS(=O)C3)cc1C
InChIInChI=1S/C22H23N3O2S/c1-13-8-9-17(10-15(13)3)22(26)23-21-18-11-28(27)12-19(18)24-25(21)20-7-5-6-14(2)16(20)4/h5-10H,11-12H2,1-4H3,(H,23,26)
InChIKeyFVLVRIDLMPMYMV-UHFFFAOYSA-N
XLogP4.12
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,4-dimethylbenzamide?
The IUPAC name of N-[2-(2,3-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,4-dimethylbenzamide (CID 5056426) is N-[2-(2,3-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[2-(2,3-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[2-(2,3-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,4-dimethylbenzamide is Cc1ccc(C(=O)Nc2c3c(nn2-c2cccc(C)c2C)CS(=O)C3)cc1C.
What is the InChIKey of N-[2-(2,3-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,4-dimethylbenzamide?
The InChIKey is FVLVRIDLMPMYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2S/c1-13-8-9-17(10-15(13)3)22(26)23-21-18-11-28(27)12-19(18)24-25(21)20-7-5-6-14(2)16(20)4/h5-10H,11-12H2,1-4H3,(H,23,26).
What are the key properties of N-[2-(2,3-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,4-dimethylbenzamide?
N-[2-(2,3-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,4-dimethylbenzamide has a molecular weight of 393.51 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,4-dimethylbenzamide is sourced from PubChem (CID 5056426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).