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

C20H27N3OS — CID 5175415

IUPAC4-tert-butyl-N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2c3c(nn2C(C)(C)C)CSC3)cc1
InChIInChI=1S/C20H27N3OS/c1-19(2,3)14-9-7-13(8-10-14)18(24)21-17-15-11-25-12-16(15)22-23(17)20(4,5)6/h7-10H,11-12H2,1-6H3,(H,21,24)
InChIKeyQDCSGKOWMYVLJS-UHFFFAOYSA-N
MW357.52 g/mol
LogP4.93
Rot. Bonds2

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

4-tert-butyl-N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)benzamide (PubChem CID 5175415) has the molecular formula C20H27N3OS and a molecular weight of 357.52 g/mol. Its IUPAC name is 4-tert-butyl-N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)benzamide
PubChem CID5175415
Molecular FormulaC20H27N3OS
Molecular Weight357.52 g/mol
Exact Mass357.19
IUPAC Name4-tert-butyl-N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2c3c(nn2C(C)(C)C)CSC3)cc1
InChIInChI=1S/C20H27N3OS/c1-19(2,3)14-9-7-13(8-10-14)18(24)21-17-15-11-25-12-16(15)22-23(17)20(4,5)6/h7-10H,11-12H2,1-6H3,(H,21,24)
InChIKeyQDCSGKOWMYVLJS-UHFFFAOYSA-N
XLogP4.93
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.52
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3,4-dimethoxybenzamide
CID 3632782
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-methoxybenzamide
CID 3495488
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)-2-chloro-4-fluorobenzamide
CID 121030665
4-tert-butyl-N-[2-(4-nitrophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 3278234
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)pentanamide
CID 4225476
N'-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-N-propyloxamide
CID 7685459
N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 121030671
N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 121030663
N'-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-N-[2-(diethylamino)ethyl]oxamide
CID 7685489

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)benzamide?
The IUPAC name of 4-tert-butyl-N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)benzamide (CID 5175415) is 4-tert-butyl-N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)benzamide?
The canonical SMILES for 4-tert-butyl-N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)benzamide is CC(C)(C)c1ccc(C(=O)Nc2c3c(nn2C(C)(C)C)CSC3)cc1.
What is the InChIKey of 4-tert-butyl-N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)benzamide?
The InChIKey is QDCSGKOWMYVLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3OS/c1-19(2,3)14-9-7-13(8-10-14)18(24)21-17-15-11-25-12-16(15)22-23(17)20(4,5)6/h7-10H,11-12H2,1-6H3,(H,21,24).
What are the key properties of 4-tert-butyl-N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)benzamide?
4-tert-butyl-N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)benzamide has a molecular weight of 357.52 g/mol, XLogP of 4.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)benzamide is sourced from PubChem (CID 5175415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).