N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-thiophen-3-ylacetamide

C19H21N3OS — CID 31646009

IUPACN-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-thiophen-3-ylacetamide
SMILESCc1nn(Cc2ccccc2)c(C)c1CNC(=O)Cc1ccsc1
InChIInChI=1S/C19H21N3OS/c1-14-18(11-20-19(23)10-17-8-9-24-13-17)15(2)22(21-14)12-16-6-4-3-5-7-16/h3-9,13H,10-12H2,1-2H3,(H,20,23)
InChIKeyCTPUIHONKNVROR-UHFFFAOYSA-N
MW339.46 g/mol
LogP3.47
Rot. Bonds6

About N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-thiophen-3-ylacetamide

N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-thiophen-3-ylacetamide (PubChem CID 31646009) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-thiophen-3-ylacetamide
PubChem CID31646009
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC NameN-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-thiophen-3-ylacetamide
SMILESCc1nn(Cc2ccccc2)c(C)c1CNC(=O)Cc1ccsc1
InChIInChI=1S/C19H21N3OS/c1-14-18(11-20-19(23)10-17-8-9-24-13-17)15(2)22(21-14)12-16-6-4-3-5-7-16/h3-9,13H,10-12H2,1-2H3,(H,20,23)
InChIKeyCTPUIHONKNVROR-UHFFFAOYSA-N
XLogP3.47
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-thiophen-3-ylacetamide?
The IUPAC name of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-thiophen-3-ylacetamide (CID 31646009) is N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-thiophen-3-ylacetamide is Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)Cc1ccsc1.
What is the InChIKey of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-thiophen-3-ylacetamide?
The InChIKey is CTPUIHONKNVROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS/c1-14-18(11-20-19(23)10-17-8-9-24-13-17)15(2)22(21-14)12-16-6-4-3-5-7-16/h3-9,13H,10-12H2,1-2H3,(H,20,23).
What are the key properties of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-thiophen-3-ylacetamide?
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-thiophen-3-ylacetamide has a molecular weight of 339.46 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 31646009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).