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

C22H23N3O3S — CID 4138818

IUPACN-[2-(3,5-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2c3c(nn2-c2cc(C)cc(C)c2)CSC3)cc1OC
InChIInChI=1S/C22H23N3O3S/c1-13-7-14(2)9-16(8-13)25-21(17-11-29-12-18(17)24-25)23-22(26)15-5-6-19(27-3)20(10-15)28-4/h5-10H,11-12H2,1-4H3,(H,23,26)
InChIKeyYWPHSXIRHGUAMX-UHFFFAOYSA-N
MW409.51 g/mol
LogP4.51
Rot. Bonds5

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

N-[2-(3,5-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,4-dimethoxybenzamide (PubChem CID 4138818) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is N-[2-(3,5-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,4-dimethoxybenzamide
PubChem CID4138818
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC NameN-[2-(3,5-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2c3c(nn2-c2cc(C)cc(C)c2)CSC3)cc1OC
InChIInChI=1S/C22H23N3O3S/c1-13-7-14(2)9-16(8-13)25-21(17-11-29-12-18(17)24-25)23-22(26)15-5-6-19(27-3)20(10-15)28-4/h5-10H,11-12H2,1-4H3,(H,23,26)
InChIKeyYWPHSXIRHGUAMX-UHFFFAOYSA-N
XLogP4.51
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-dimethoxy-N-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 4087525
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-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3,4-dimethoxybenzamide
CID 3632782
(E)-N-[2-(3,5-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 6019297
N-[2-(3,5-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 4139157
4-fluoro-N-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 5110665
N-[2-(3,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2,4,6-trimethylbenzamide
CID 5210835
N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-methylbenzamide
CID 3373388
N-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-nitrobenzamide
CID 4166012
N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-methylthiadiazole-5-carboxamide
CID 121030391
N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 121030403

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[2-(3,5-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,4-dimethoxybenzamide (CID 4138818) is N-[2-(3,5-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[2-(3,5-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[2-(3,5-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2c3c(nn2-c2cc(C)cc(C)c2)CSC3)cc1OC.
What is the InChIKey of N-[2-(3,5-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,4-dimethoxybenzamide?
The InChIKey is YWPHSXIRHGUAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-13-7-14(2)9-16(8-13)25-21(17-11-29-12-18(17)24-25)23-22(26)15-5-6-19(27-3)20(10-15)28-4/h5-10H,11-12H2,1-4H3,(H,23,26).
What are the key properties of N-[2-(3,5-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,4-dimethoxybenzamide?
N-[2-(3,5-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,4-dimethoxybenzamide has a molecular weight of 409.51 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 4138818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).