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

C12H19N3OS — CID 3565915

IUPACN-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)propanamide
SMILESCCC(=O)Nc1c2c(nn1C(C)(C)C)CSC2
InChIInChI=1S/C12H19N3OS/c1-5-10(16)13-11-8-6-17-7-9(8)14-15(11)12(2,3)4/h5-7H2,1-4H3,(H,13,16)
InChIKeyQCMRFEFXUMMEBS-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.73
Rot. Bonds2

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

N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)propanamide (PubChem CID 3565915) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)propanamide.

Molecular Properties

Compound NameN-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)propanamide
PubChem CID3565915
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC NameN-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)propanamide
SMILESCCC(=O)Nc1c2c(nn1C(C)(C)C)CSC2
InChIInChI=1S/C12H19N3OS/c1-5-10(16)13-11-8-6-17-7-9(8)14-15(11)12(2,3)4/h5-7H2,1-4H3,(H,13,16)
InChIKeyQCMRFEFXUMMEBS-UHFFFAOYSA-N
XLogP2.73
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.73
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-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)propanamide?
The IUPAC name of N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)propanamide (CID 3565915) is N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)propanamide.
What is the SMILES notation for N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)propanamide?
The canonical SMILES for N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)propanamide is CCC(=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)propanamide?
The InChIKey is QCMRFEFXUMMEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-5-10(16)13-11-8-6-17-7-9(8)14-15(11)12(2,3)4/h5-7H2,1-4H3,(H,13,16).
What are the key properties of N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)propanamide?
N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)propanamide has a molecular weight of 253.37 g/mol, XLogP of 2.73, 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-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)propanamide is sourced from PubChem (CID 3565915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).