N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-methoxybenzamide

C17H21N3O2S — CID 3495488

IUPACN-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1c2c(nn1C(C)(C)C)CSC2
InChIInChI=1S/C17H21N3O2S/c1-17(2,3)20-15(12-9-23-10-13(12)19-20)18-16(21)11-7-5-6-8-14(11)22-4/h5-8H,9-10H2,1-4H3,(H,18,21)
InChIKeyFHTWEJPBTIUHMA-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.65
Rot. Bonds3

About N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-methoxybenzamide

N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-methoxybenzamide (PubChem CID 3495488) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-methoxybenzamide.

Molecular Properties

Compound NameN-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-methoxybenzamide
PubChem CID3495488
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC NameN-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1c2c(nn1C(C)(C)C)CSC2
InChIInChI=1S/C17H21N3O2S/c1-17(2,3)20-15(12-9-23-10-13(12)19-20)18-16(21)11-7-5-6-8-14(11)22-4/h5-8H,9-10H2,1-4H3,(H,18,21)
InChIKeyFHTWEJPBTIUHMA-UHFFFAOYSA-N
XLogP3.65
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-iodobenzamide
CID 4083168
N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(trifluoromethyl)benzamide
CID 5067051
N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3,4-dimethoxybenzamide
CID 3632782
N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-methoxybenzamide
CID 5235402
4-tert-butyl-N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)benzamide
CID 5175415
2,3-dimethoxy-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)benzamide
CID 3326950
1-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-(4-methoxyphenyl)urea
CID 4550397
N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(3-methoxyphenoxy)acetamide
CID 7200096
N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-ethoxybenzamide
CID 2160239
N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2,3-dimethoxybenzamide
CID 5136320
2,3-dimethoxy-N-[2-[2-(2-methoxyethylamino)-2-oxoethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 30862221
2,3-dimethoxy-N-[2-(4-nitrophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 4621831

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-methoxybenzamide?
The IUPAC name of N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-methoxybenzamide (CID 3495488) is N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-methoxybenzamide.
What is the SMILES notation for N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-methoxybenzamide?
The canonical SMILES for N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-methoxybenzamide is COc1ccccc1C(=O)Nc1c2c(nn1C(C)(C)C)CSC2.
What is the InChIKey of N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-methoxybenzamide?
The InChIKey is FHTWEJPBTIUHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-17(2,3)20-15(12-9-23-10-13(12)19-20)18-16(21)11-7-5-6-8-14(11)22-4/h5-8H,9-10H2,1-4H3,(H,18,21).
What are the key properties of N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-methoxybenzamide?
N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-methoxybenzamide has a molecular weight of 331.44 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-methoxybenzamide is sourced from PubChem (CID 3495488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).