N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-2-thiophen-2-ylacetamide

C18H20N4OS — CID 86906675

IUPACN-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-2-thiophen-2-ylacetamide
SMILESCN(C)c1ccc(Cn2nccc2NC(=O)Cc2cccs2)cc1
InChIInChI=1S/C18H20N4OS/c1-21(2)15-7-5-14(6-8-15)13-22-17(9-10-19-22)20-18(23)12-16-4-3-11-24-16/h3-11H,12-13H2,1-2H3,(H,20,23)
InChIKeyMGXSZQQJGDGKPL-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.24
Rot. Bonds6

About N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-2-thiophen-2-ylacetamide

N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-2-thiophen-2-ylacetamide (PubChem CID 86906675) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-2-thiophen-2-ylacetamide
PubChem CID86906675
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC NameN-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-2-thiophen-2-ylacetamide
SMILESCN(C)c1ccc(Cn2nccc2NC(=O)Cc2cccs2)cc1
InChIInChI=1S/C18H20N4OS/c1-21(2)15-7-5-14(6-8-15)13-22-17(9-10-19-22)20-18(23)12-16-4-3-11-24-16/h3-11H,12-13H2,1-2H3,(H,20,23)
InChIKeyMGXSZQQJGDGKPL-UHFFFAOYSA-N
XLogP3.24
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-2-thiophen-2-ylacetamide (CID 86906675) is N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-2-thiophen-2-ylacetamide is CN(C)c1ccc(Cn2nccc2NC(=O)Cc2cccs2)cc1.
What is the InChIKey of N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-2-thiophen-2-ylacetamide?
The InChIKey is MGXSZQQJGDGKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-21(2)15-7-5-14(6-8-15)13-22-17(9-10-19-22)20-18(23)12-16-4-3-11-24-16/h3-11H,12-13H2,1-2H3,(H,20,23).
What are the key properties of N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-2-thiophen-2-ylacetamide?
N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-2-thiophen-2-ylacetamide has a molecular weight of 340.45 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 86906675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).