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

C20H19N3OS — CID 4547207

IUPACN-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-phenylacetamide
SMILESCc1cccc(-n2nc3c(c2NC(=O)Cc2ccccc2)CSC3)c1
InChIInChI=1S/C20H19N3OS/c1-14-6-5-9-16(10-14)23-20(17-12-25-13-18(17)22-23)21-19(24)11-15-7-3-2-4-8-15/h2-10H,11-13H2,1H3,(H,21,24)
InChIKeyQDGYCGFPTJMMMY-UHFFFAOYSA-N
MW349.46 g/mol
LogP4.11
Rot. Bonds4

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

N-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-phenylacetamide (PubChem CID 4547207) has the molecular formula C20H19N3OS and a molecular weight of 349.46 g/mol. Its IUPAC name is N-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-phenylacetamide
PubChem CID4547207
Molecular FormulaC20H19N3OS
Molecular Weight349.46 g/mol
Exact Mass349.12
IUPAC NameN-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-phenylacetamide
SMILESCc1cccc(-n2nc3c(c2NC(=O)Cc2ccccc2)CSC3)c1
InChIInChI=1S/C20H19N3OS/c1-14-6-5-9-16(10-14)23-20(17-12-25-13-18(17)22-23)21-19(24)11-15-7-3-2-4-8-15/h2-10H,11-13H2,1H3,(H,21,24)
InChIKeyQDGYCGFPTJMMMY-UHFFFAOYSA-N
XLogP4.11
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,3-diphenylpropanamide
CID 40868689
2,2-dimethyl-N-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide
CID 3407730
N-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-(4-phenylphenyl)acetamide
CID 40868854
4-fluoro-N-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 5110665
2-(4-nitrophenyl)-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide
CID 7484062
N-[2-(3,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-(4-fluorophenyl)acetamide
CID 4133470
2-chloro-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide
CID 5114556
1-(4-chlorophenyl)-3-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]urea
CID 5064920
4-methyl-N-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]thiadiazole-5-carboxamide
CID 121030529
N-[2-(3-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-(4-nitrophenyl)acetamide
CID 7484162
N-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-nitrobenzamide
CID 4166012
N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-(3-methoxyphenyl)acetamide
CID 121030439

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-phenylacetamide?
The IUPAC name of N-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-phenylacetamide (CID 4547207) is N-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-phenylacetamide.
What is the SMILES notation for N-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-phenylacetamide?
The canonical SMILES for N-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-phenylacetamide is Cc1cccc(-n2nc3c(c2NC(=O)Cc2ccccc2)CSC3)c1.
What is the InChIKey of N-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-phenylacetamide?
The InChIKey is QDGYCGFPTJMMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3OS/c1-14-6-5-9-16(10-14)23-20(17-12-25-13-18(17)22-23)21-19(24)11-15-7-3-2-4-8-15/h2-10H,11-13H2,1H3,(H,21,24).
What are the key properties of N-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-phenylacetamide?
N-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-phenylacetamide has a molecular weight of 349.46 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-phenylacetamide is sourced from PubChem (CID 4547207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).