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

C14H15N3OS — CID 4051304

IUPACN-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)propanamide
SMILESCCC(=O)Nc1c2c(nn1-c1ccccc1)CSC2
InChIInChI=1S/C14H15N3OS/c1-2-13(18)15-14-11-8-19-9-12(11)16-17(14)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,15,18)
InChIKeyQUHYOCMYSCMOTD-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.97
Rot. Bonds3

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

N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)propanamide (PubChem CID 4051304) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)propanamide.

Molecular Properties

Compound NameN-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)propanamide
PubChem CID4051304
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC NameN-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)propanamide
SMILESCCC(=O)Nc1c2c(nn1-c1ccccc1)CSC2
InChIInChI=1S/C14H15N3OS/c1-2-13(18)15-14-11-8-19-9-12(11)16-17(14)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,15,18)
InChIKeyQUHYOCMYSCMOTD-UHFFFAOYSA-N
XLogP2.97
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)propanamide?
The IUPAC name of N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)propanamide (CID 4051304) is N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)propanamide.
What is the SMILES notation for N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)propanamide?
The canonical SMILES for N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)propanamide is CCC(=O)Nc1c2c(nn1-c1ccccc1)CSC2.
What is the InChIKey of N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)propanamide?
The InChIKey is QUHYOCMYSCMOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c1-2-13(18)15-14-11-8-19-9-12(11)16-17(14)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,15,18).
What are the key properties of N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)propanamide?
N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)propanamide has a molecular weight of 273.36 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)propanamide is sourced from PubChem (CID 4051304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).