1-benzyl-3-thiophen-2-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazole-4-carboxamide

C23H18N4O2S2 — CID 24575112

IUPAC1-benzyl-3-thiophen-2-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazole-4-carboxamide
SMILESO=C(NCc1coc(-c2cccs2)n1)c1cn(Cc2ccccc2)nc1-c1cccs1
InChIInChI=1S/C23H18N4O2S2/c28-22(24-12-17-15-29-23(25-17)20-9-5-11-31-20)18-14-27(13-16-6-2-1-3-7-16)26-21(18)19-8-4-10-30-19/h1-11,14-15H,12-13H2,(H,24,28)
InChIKeyBITKPOGZSSVVGO-UHFFFAOYSA-N
MW446.56 g/mol
LogP5.31
Rot. Bonds7

About 1-benzyl-3-thiophen-2-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazole-4-carboxamide

1-benzyl-3-thiophen-2-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazole-4-carboxamide (PubChem CID 24575112) has the molecular formula C23H18N4O2S2 and a molecular weight of 446.56 g/mol. Its IUPAC name is 1-benzyl-3-thiophen-2-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-3-thiophen-2-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazole-4-carboxamide
PubChem CID24575112
Molecular FormulaC23H18N4O2S2
Molecular Weight446.56 g/mol
Exact Mass446.09
IUPAC Name1-benzyl-3-thiophen-2-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazole-4-carboxamide
SMILESO=C(NCc1coc(-c2cccs2)n1)c1cn(Cc2ccccc2)nc1-c1cccs1
InChIInChI=1S/C23H18N4O2S2/c28-22(24-12-17-15-29-23(25-17)20-9-5-11-31-20)18-14-27(13-16-6-2-1-3-7-16)26-21(18)19-8-4-10-30-19/h1-11,14-15H,12-13H2,(H,24,28)
InChIKeyBITKPOGZSSVVGO-UHFFFAOYSA-N
XLogP5.31
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.56
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-thiophen-2-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-3-thiophen-2-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazole-4-carboxamide (CID 24575112) is 1-benzyl-3-thiophen-2-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-3-thiophen-2-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-3-thiophen-2-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazole-4-carboxamide is O=C(NCc1coc(-c2cccs2)n1)c1cn(Cc2ccccc2)nc1-c1cccs1.
What is the InChIKey of 1-benzyl-3-thiophen-2-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazole-4-carboxamide?
The InChIKey is BITKPOGZSSVVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O2S2/c28-22(24-12-17-15-29-23(25-17)20-9-5-11-31-20)18-14-27(13-16-6-2-1-3-7-16)26-21(18)19-8-4-10-30-19/h1-11,14-15H,12-13H2,(H,24,28).
What are the key properties of 1-benzyl-3-thiophen-2-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazole-4-carboxamide?
1-benzyl-3-thiophen-2-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazole-4-carboxamide has a molecular weight of 446.56 g/mol, XLogP of 5.31, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-thiophen-2-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 24575112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).