2-(2,3-dihydro-1H-inden-5-yl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide

C19H19N3OS — CID 9118752

IUPAC2-(2,3-dihydro-1H-inden-5-yl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide
SMILESO=C(Cc1ccc2c(c1)CCC2)Nc1ccnn1Cc1cccs1
InChIInChI=1S/C19H19N3OS/c23-19(12-14-6-7-15-3-1-4-16(15)11-14)21-18-8-9-20-22(18)13-17-5-2-10-24-17/h2,5-11H,1,3-4,12-13H2,(H,21,23)
InChIKeyRNKLTTRWPQZXAH-UHFFFAOYSA-N
MW337.45 g/mol
LogP3.66
Rot. Bonds5

About 2-(2,3-dihydro-1H-inden-5-yl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide

2-(2,3-dihydro-1H-inden-5-yl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide (PubChem CID 9118752) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide
PubChem CID9118752
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC Name2-(2,3-dihydro-1H-inden-5-yl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide
SMILESO=C(Cc1ccc2c(c1)CCC2)Nc1ccnn1Cc1cccs1
InChIInChI=1S/C19H19N3OS/c23-19(12-14-6-7-15-3-1-4-16(15)11-14)21-18-8-9-20-22(18)13-17-5-2-10-24-17/h2,5-11H,1,3-4,12-13H2,(H,21,23)
InChIKeyRNKLTTRWPQZXAH-UHFFFAOYSA-N
XLogP3.66
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide
CID 8911690
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 16568057
2-amino-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide
CID 121209392
N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-2-thiophen-2-ylacetamide
CID 86906675
N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]cyclobutanecarboxamide
CID 8911676
3-(4-methoxyphenyl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]propanamide
CID 8911494
2-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide
CID 86960309
2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide
CID 51286651
2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide
CID 8911528
3-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]propanamide
CID 8911831
2-(4-bromophenoxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide
CID 35673635
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
CID 9168457

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide (CID 9118752) is 2-(2,3-dihydro-1H-inden-5-yl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide is O=C(Cc1ccc2c(c1)CCC2)Nc1ccnn1Cc1cccs1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide?
The InChIKey is RNKLTTRWPQZXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c23-19(12-14-6-7-15-3-1-4-16(15)11-14)21-18-8-9-20-22(18)13-17-5-2-10-24-17/h2,5-11H,1,3-4,12-13H2,(H,21,23).
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide?
2-(2,3-dihydro-1H-inden-5-yl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide has a molecular weight of 337.45 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 9118752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).