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

C14H23N3OS — CID 5096501

IUPACN-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1c2c(nn1C(C)(C)C)CSC2
InChIInChI=1S/C14H23N3OS/c1-9(2)6-12(18)15-13-10-7-19-8-11(10)16-17(13)14(3,4)5/h9H,6-8H2,1-5H3,(H,15,18)
InChIKeyPZNDGWBZLJVUGK-UHFFFAOYSA-N
MW281.42 g/mol
LogP3.37
Rot. Bonds3

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

N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-methylbutanamide (PubChem CID 5096501) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-methylbutanamide
PubChem CID5096501
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC NameN-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1c2c(nn1C(C)(C)C)CSC2
InChIInChI=1S/C14H23N3OS/c1-9(2)6-12(18)15-13-10-7-19-8-11(10)16-17(13)14(3,4)5/h9H,6-8H2,1-5H3,(H,15,18)
InChIKeyPZNDGWBZLJVUGK-UHFFFAOYSA-N
XLogP3.37
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.37
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)-3-methylbutanamide?
The IUPAC name of N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-methylbutanamide (CID 5096501) is N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-methylbutanamide.
What is the SMILES notation for N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-methylbutanamide?
The canonical SMILES for N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-methylbutanamide is CC(C)CC(=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)-3-methylbutanamide?
The InChIKey is PZNDGWBZLJVUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-9(2)6-12(18)15-13-10-7-19-8-11(10)16-17(13)14(3,4)5/h9H,6-8H2,1-5H3,(H,15,18).
What are the key properties of N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-methylbutanamide?
N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-methylbutanamide has a molecular weight of 281.42 g/mol, XLogP of 3.37, 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)-3-methylbutanamide is sourced from PubChem (CID 5096501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).