N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-ethylbutanamide

C15H25N3O2S — CID 756283

IUPACN-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-ethylbutanamide
SMILESCCC(CC)C(=O)Nc1c2c(nn1C(C)(C)C)CS(=O)C2
InChIInChI=1S/C15H25N3O2S/c1-6-10(7-2)14(19)16-13-11-8-21(20)9-12(11)17-18(13)15(3,4)5/h10H,6-9H2,1-5H3,(H,16,19)
InChIKeyAVVVCGBJNLZVPJ-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.78
Rot. Bonds4

About N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-ethylbutanamide

N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-ethylbutanamide (PubChem CID 756283) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-ethylbutanamide.

Molecular Properties

Compound NameN-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-ethylbutanamide
PubChem CID756283
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC NameN-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-ethylbutanamide
SMILESCCC(CC)C(=O)Nc1c2c(nn1C(C)(C)C)CS(=O)C2
InChIInChI=1S/C15H25N3O2S/c1-6-10(7-2)14(19)16-13-11-8-21(20)9-12(11)17-18(13)15(3,4)5/h10H,6-9H2,1-5H3,(H,16,19)
InChIKeyAVVVCGBJNLZVPJ-UHFFFAOYSA-N
XLogP2.78
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-ethylbutanamide?
The IUPAC name of N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-ethylbutanamide (CID 756283) is N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-ethylbutanamide.
What is the SMILES notation for N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-ethylbutanamide?
The canonical SMILES for N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-ethylbutanamide is CCC(CC)C(=O)Nc1c2c(nn1C(C)(C)C)CS(=O)C2.
What is the InChIKey of N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-ethylbutanamide?
The InChIKey is AVVVCGBJNLZVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-6-10(7-2)14(19)16-13-11-8-21(20)9-12(11)17-18(13)15(3,4)5/h10H,6-9H2,1-5H3,(H,16,19).
What are the key properties of N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-ethylbutanamide?
N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-ethylbutanamide has a molecular weight of 311.45 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-ethylbutanamide is sourced from PubChem (CID 756283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).