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

C14H23N3OS — CID 4225476

IUPACN-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)pentanamide
SMILESCCCCC(=O)Nc1c2c(nn1C(C)(C)C)CSC2
InChIInChI=1S/C14H23N3OS/c1-5-6-7-12(18)15-13-10-8-19-9-11(10)16-17(13)14(2,3)4/h5-9H2,1-4H3,(H,15,18)
InChIKeyZNDVVRGOMIIMTI-UHFFFAOYSA-N
MW281.42 g/mol
LogP3.51
Rot. Bonds4

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

N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)pentanamide (PubChem CID 4225476) 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)pentanamide.

Molecular Properties

Compound NameN-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)pentanamide
PubChem CID4225476
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC NameN-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)pentanamide
SMILESCCCCC(=O)Nc1c2c(nn1C(C)(C)C)CSC2
InChIInChI=1S/C14H23N3OS/c1-5-6-7-12(18)15-13-10-8-19-9-11(10)16-17(13)14(2,3)4/h5-9H2,1-4H3,(H,15,18)
InChIKeyZNDVVRGOMIIMTI-UHFFFAOYSA-N
XLogP3.51
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.51
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)pentanamide?
The IUPAC name of N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)pentanamide (CID 4225476) is N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)pentanamide.
What is the SMILES notation for N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)pentanamide?
The canonical SMILES for N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)pentanamide is CCCCC(=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)pentanamide?
The InChIKey is ZNDVVRGOMIIMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-5-6-7-12(18)15-13-10-8-19-9-11(10)16-17(13)14(2,3)4/h5-9H2,1-4H3,(H,15,18).
What are the key properties of N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)pentanamide?
N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)pentanamide has a molecular weight of 281.42 g/mol, XLogP of 3.51, 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-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)pentanamide is sourced from PubChem (CID 4225476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).