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

C23H25N3OS — CID 5210835

IUPACN-[2-(3,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2,4,6-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)Nc2c3c(nn2-c2ccc(C)c(C)c2)CSC3)c(C)c1
InChIInChI=1S/C23H25N3OS/c1-13-8-16(4)21(17(5)9-13)23(27)24-22-19-11-28-12-20(19)25-26(22)18-7-6-14(2)15(3)10-18/h6-10H,11-12H2,1-5H3,(H,24,27)
InChIKeyFTASPPJOQMDQPI-UHFFFAOYSA-N
MW391.54 g/mol
LogP5.41
Rot. Bonds3

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

N-[2-(3,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2,4,6-trimethylbenzamide (PubChem CID 5210835) has the molecular formula C23H25N3OS and a molecular weight of 391.54 g/mol. Its IUPAC name is N-[2-(3,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2,4,6-trimethylbenzamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2,4,6-trimethylbenzamide
PubChem CID5210835
Molecular FormulaC23H25N3OS
Molecular Weight391.54 g/mol
Exact Mass391.17
IUPAC NameN-[2-(3,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2,4,6-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)Nc2c3c(nn2-c2ccc(C)c(C)c2)CSC3)c(C)c1
InChIInChI=1S/C23H25N3OS/c1-13-8-16(4)21(17(5)9-13)23(27)24-22-19-11-28-12-20(19)25-26(22)18-7-6-14(2)15(3)10-18/h6-10H,11-12H2,1-5H3,(H,24,27)
InChIKeyFTASPPJOQMDQPI-UHFFFAOYSA-N
XLogP5.41
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.54
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide
CID 4121305
N-[2-(3,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2,5-dimethylfuran-3-carboxamide
CID 121030593
5-chloro-N-[2-(3,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]thiophene-2-carboxamide
CID 121030616
N-[2-(3,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-ethylbutanamide
CID 3428591
N-[2-(3,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 121030606
N-[2-(3,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-(4-fluorophenyl)acetamide
CID 4133470
4-chloro-N-[2-(3,5-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 3323330
N-[2-(3,5-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-methyl-3-nitrobenzamide
CID 4246053
N-[2-(3,4-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,5-dimethylbenzamide
CID 5140928
N-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,5-bis(trifluoromethyl)benzamide
CID 40868735
N-[2-(3,5-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,4-dimethoxybenzamide
CID 4138818
4-fluoro-N-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 5110665

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2,4,6-trimethylbenzamide?
The IUPAC name of N-[2-(3,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2,4,6-trimethylbenzamide (CID 5210835) is N-[2-(3,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2,4,6-trimethylbenzamide.
What is the SMILES notation for N-[2-(3,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2,4,6-trimethylbenzamide?
The canonical SMILES for N-[2-(3,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2,4,6-trimethylbenzamide is Cc1cc(C)c(C(=O)Nc2c3c(nn2-c2ccc(C)c(C)c2)CSC3)c(C)c1.
What is the InChIKey of N-[2-(3,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2,4,6-trimethylbenzamide?
The InChIKey is FTASPPJOQMDQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3OS/c1-13-8-16(4)21(17(5)9-13)23(27)24-22-19-11-28-12-20(19)25-26(22)18-7-6-14(2)15(3)10-18/h6-10H,11-12H2,1-5H3,(H,24,27).
What are the key properties of N-[2-(3,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2,4,6-trimethylbenzamide?
N-[2-(3,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2,4,6-trimethylbenzamide has a molecular weight of 391.54 g/mol, XLogP of 5.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2,4,6-trimethylbenzamide is sourced from PubChem (CID 5210835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).