N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide

C14H15N3OS — CID 5159937

IUPACN-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1c2c(nn1-c1ccccc1C)CSC2
InChIInChI=1S/C14H15N3OS/c1-9-5-3-4-6-13(9)17-14(15-10(2)18)11-7-19-8-12(11)16-17/h3-6H,7-8H2,1-2H3,(H,15,18)
InChIKeyMGCMPFJGRQRBMP-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.89
Rot. Bonds2

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

N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide (PubChem CID 5159937) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide
PubChem CID5159937
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC NameN-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1c2c(nn1-c1ccccc1C)CSC2
InChIInChI=1S/C14H15N3OS/c1-9-5-3-4-6-13(9)17-14(15-10(2)18)11-7-19-8-12(11)16-17/h3-6H,7-8H2,1-2H3,(H,15,18)
InChIKeyMGCMPFJGRQRBMP-UHFFFAOYSA-N
XLogP2.89
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide?
The IUPAC name of N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide (CID 5159937) is N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide.
What is the SMILES notation for N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide?
The canonical SMILES for N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide is CC(=O)Nc1c2c(nn1-c1ccccc1C)CSC2.
What is the InChIKey of N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide?
The InChIKey is MGCMPFJGRQRBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c1-9-5-3-4-6-13(9)17-14(15-10(2)18)11-7-19-8-12(11)16-17/h3-6H,7-8H2,1-2H3,(H,15,18).
What are the key properties of N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide?
N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide has a molecular weight of 273.36 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide is sourced from PubChem (CID 5159937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).