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

C13H19N3O2S — CID 756288

IUPACN-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)cyclopropanecarboxamide
SMILESCC(C)(C)n1nc2c(c1NC(=O)C1CC1)CS(=O)C2
InChIInChI=1S/C13H19N3O2S/c1-13(2,3)16-11(14-12(17)8-4-5-8)9-6-19(18)7-10(9)15-16/h8H,4-7H2,1-3H3,(H,14,17)
InChIKeyOVIRCCBGOOJYIH-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.75
Rot. Bonds2

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

N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)cyclopropanecarboxamide (PubChem CID 756288) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)cyclopropanecarboxamide
PubChem CID756288
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC NameN-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)cyclopropanecarboxamide
SMILESCC(C)(C)n1nc2c(c1NC(=O)C1CC1)CS(=O)C2
InChIInChI=1S/C13H19N3O2S/c1-13(2,3)16-11(14-12(17)8-4-5-8)9-6-19(18)7-10(9)15-16/h8H,4-7H2,1-3H3,(H,14,17)
InChIKeyOVIRCCBGOOJYIH-UHFFFAOYSA-N
XLogP1.75
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.75
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)cyclopropanecarboxamide?
The IUPAC name of N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)cyclopropanecarboxamide (CID 756288) is N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)cyclopropanecarboxamide is CC(C)(C)n1nc2c(c1NC(=O)C1CC1)CS(=O)C2.
What is the InChIKey of N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)cyclopropanecarboxamide?
The InChIKey is OVIRCCBGOOJYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-13(2,3)16-11(14-12(17)8-4-5-8)9-6-19(18)7-10(9)15-16/h8H,4-7H2,1-3H3,(H,14,17).
What are the key properties of N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)cyclopropanecarboxamide?
N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)cyclopropanecarboxamide has a molecular weight of 281.38 g/mol, XLogP of 1.75, 2 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)cyclopropanecarboxamide is sourced from PubChem (CID 756288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).