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

C17H21N3OS — CID 3407730

IUPAC2,2-dimethyl-N-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide
SMILESCc1cccc(-n2nc3c(c2NC(=O)C(C)(C)C)CSC3)c1
InChIInChI=1S/C17H21N3OS/c1-11-6-5-7-12(8-11)20-15(18-16(21)17(2,3)4)13-9-22-10-14(13)19-20/h5-8H,9-10H2,1-4H3,(H,18,21)
InChIKeyPIZLDRQIIMBLJH-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.91
Rot. Bonds2

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

2,2-dimethyl-N-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide (PubChem CID 3407730) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide
PubChem CID3407730
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC Name2,2-dimethyl-N-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide
SMILESCc1cccc(-n2nc3c(c2NC(=O)C(C)(C)C)CSC3)c1
InChIInChI=1S/C17H21N3OS/c1-11-6-5-7-12(8-11)20-15(18-16(21)17(2,3)4)13-9-22-10-14(13)19-20/h5-8H,9-10H2,1-4H3,(H,18,21)
InChIKeyPIZLDRQIIMBLJH-UHFFFAOYSA-N
XLogP3.91
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.91
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]-2-phenylacetamide
CID 4547207
4-fluoro-N-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 5110665
1-(4-chlorophenyl)-3-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]urea
CID 5064920
N-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,3-diphenylpropanamide
CID 40868689
4-methyl-N-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]thiadiazole-5-carboxamide
CID 121030529
N-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-nitrobenzamide
CID 4166012
2-chloro-4-fluoro-N-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 121030527
1-(3-methylphenyl)-N-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 44973902
N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-methylbenzamide
CID 3373388
N-[2-(3,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide
CID 4121305
N'-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]oxamide
CID 7685135
1-(2-methoxyphenyl)-N-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 44973898

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide (CID 3407730) is 2,2-dimethyl-N-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide is Cc1cccc(-n2nc3c(c2NC(=O)C(C)(C)C)CSC3)c1.
What is the InChIKey of 2,2-dimethyl-N-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide?
The InChIKey is PIZLDRQIIMBLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-11-6-5-7-12(8-11)20-15(18-16(21)17(2,3)4)13-9-22-10-14(13)19-20/h5-8H,9-10H2,1-4H3,(H,18,21).
What are the key properties of 2,2-dimethyl-N-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide?
2,2-dimethyl-N-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide has a molecular weight of 315.44 g/mol, XLogP of 3.91, 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-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide is sourced from PubChem (CID 3407730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).