1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-phenyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide

C21H20N4O2S — CID 24982323

IUPAC1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-phenyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide
SMILESCCc1cc(Cn2nc(-c3ccccc3)cc2C(=O)NCc2cccs2)on1
InChIInChI=1S/C21H20N4O2S/c1-2-16-11-17(27-24-16)14-25-20(21(26)22-13-18-9-6-10-28-18)12-19(23-25)15-7-4-3-5-8-15/h3-12H,2,13-14H2,1H3,(H,22,26)
InChIKeyAISCERDTBIBFLE-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.14
Rot. Bonds7

About 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-phenyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide

1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-phenyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide (PubChem CID 24982323) has the molecular formula C21H20N4O2S and a molecular weight of 392.48 g/mol. Its IUPAC name is 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-phenyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-phenyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide
PubChem CID24982323
Molecular FormulaC21H20N4O2S
Molecular Weight392.48 g/mol
Exact Mass392.13
IUPAC Name1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-phenyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide
SMILESCCc1cc(Cn2nc(-c3ccccc3)cc2C(=O)NCc2cccs2)on1
InChIInChI=1S/C21H20N4O2S/c1-2-16-11-17(27-24-16)14-25-20(21(26)22-13-18-9-6-10-28-18)12-19(23-25)15-7-4-3-5-8-15/h3-12H,2,13-14H2,1H3,(H,22,26)
InChIKeyAISCERDTBIBFLE-UHFFFAOYSA-N
XLogP4.14
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-phenyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide?
The IUPAC name of 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-phenyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide (CID 24982323) is 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-phenyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-phenyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-phenyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide is CCc1cc(Cn2nc(-c3ccccc3)cc2C(=O)NCc2cccs2)on1.
What is the InChIKey of 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-phenyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide?
The InChIKey is AISCERDTBIBFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2S/c1-2-16-11-17(27-24-16)14-25-20(21(26)22-13-18-9-6-10-28-18)12-19(23-25)15-7-4-3-5-8-15/h3-12H,2,13-14H2,1H3,(H,22,26).
What are the key properties of 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-phenyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide?
1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-phenyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide has a molecular weight of 392.48 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-phenyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 24982323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).