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

C13H21N3OS — CID 3412016

IUPACN-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)butanamide
SMILESCCCC(=O)Nc1c2c(nn1C(C)(C)C)CSC2
InChIInChI=1S/C13H21N3OS/c1-5-6-11(17)14-12-9-7-18-8-10(9)15-16(12)13(2,3)4/h5-8H2,1-4H3,(H,14,17)
InChIKeyNFFYCBKLZQIUKH-UHFFFAOYSA-N
MW267.40 g/mol
LogP3.12
Rot. Bonds3

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

N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)butanamide (PubChem CID 3412016) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)butanamide.

Molecular Properties

Compound NameN-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)butanamide
PubChem CID3412016
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC NameN-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)butanamide
SMILESCCCC(=O)Nc1c2c(nn1C(C)(C)C)CSC2
InChIInChI=1S/C13H21N3OS/c1-5-6-11(17)14-12-9-7-18-8-10(9)15-16(12)13(2,3)4/h5-8H2,1-4H3,(H,14,17)
InChIKeyNFFYCBKLZQIUKH-UHFFFAOYSA-N
XLogP3.12
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 53.12
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)butanamide?
The IUPAC name of N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)butanamide (CID 3412016) is N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)butanamide.
What is the SMILES notation for N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)butanamide?
The canonical SMILES for N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)butanamide is CCCC(=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)butanamide?
The InChIKey is NFFYCBKLZQIUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-5-6-11(17)14-12-9-7-18-8-10(9)15-16(12)13(2,3)4/h5-8H2,1-4H3,(H,14,17).
What are the key properties of N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)butanamide?
N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)butanamide has a molecular weight of 267.40 g/mol, XLogP of 3.12, 3 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)butanamide is sourced from PubChem (CID 3412016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).