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

C16H19N3OS — CID 4116919

IUPAC2,2-dimethyl-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)propanamide
SMILESCC(C)(C)C(=O)Nc1c2c(nn1-c1ccccc1)CSC2
InChIInChI=1S/C16H19N3OS/c1-16(2,3)15(20)17-14-12-9-21-10-13(12)18-19(14)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,17,20)
InChIKeySZPMPAVNLSACGC-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.60
Rot. Bonds2

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

2,2-dimethyl-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)propanamide (PubChem CID 4116919) has the molecular formula C16H19N3OS and a molecular weight of 301.41 g/mol. Its IUPAC name is 2,2-dimethyl-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)propanamide
PubChem CID4116919
Molecular FormulaC16H19N3OS
Molecular Weight301.41 g/mol
Exact Mass301.12
IUPAC Name2,2-dimethyl-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)propanamide
SMILESCC(C)(C)C(=O)Nc1c2c(nn1-c1ccccc1)CSC2
InChIInChI=1S/C16H19N3OS/c1-16(2,3)15(20)17-14-12-9-21-10-13(12)18-19(14)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,17,20)
InChIKeySZPMPAVNLSACGC-UHFFFAOYSA-N
XLogP3.60
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)propanamide?
The IUPAC name of 2,2-dimethyl-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)propanamide (CID 4116919) is 2,2-dimethyl-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)propanamide.
What is the SMILES notation for 2,2-dimethyl-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)propanamide?
The canonical SMILES for 2,2-dimethyl-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)propanamide is CC(C)(C)C(=O)Nc1c2c(nn1-c1ccccc1)CSC2.
What is the InChIKey of 2,2-dimethyl-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)propanamide?
The InChIKey is SZPMPAVNLSACGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-16(2,3)15(20)17-14-12-9-21-10-13(12)18-19(14)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,17,20).
What are the key properties of 2,2-dimethyl-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)propanamide?
2,2-dimethyl-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)propanamide has a molecular weight of 301.41 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)propanamide is sourced from PubChem (CID 4116919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).