1-methyl-N-[(3-propyl-1,2-oxazol-5-yl)methyl]-3-thiophen-2-ylpyrazole-5-carboxamide

C16H18N4O2S — CID 50982065

IUPAC1-methyl-N-[(3-propyl-1,2-oxazol-5-yl)methyl]-3-thiophen-2-ylpyrazole-5-carboxamide
SMILESCCCc1cc(CNC(=O)c2cc(-c3cccs3)nn2C)on1
InChIInChI=1S/C16H18N4O2S/c1-3-5-11-8-12(22-19-11)10-17-16(21)14-9-13(18-20(14)2)15-6-4-7-23-15/h4,6-9H,3,5,10H2,1-2H3,(H,17,21)
InChIKeyOLJDGDHWAQOFRJ-UHFFFAOYSA-N
MW330.41 g/mol
LogP3.02
Rot. Bonds6

About 1-methyl-N-[(3-propyl-1,2-oxazol-5-yl)methyl]-3-thiophen-2-ylpyrazole-5-carboxamide

1-methyl-N-[(3-propyl-1,2-oxazol-5-yl)methyl]-3-thiophen-2-ylpyrazole-5-carboxamide (PubChem CID 50982065) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is 1-methyl-N-[(3-propyl-1,2-oxazol-5-yl)methyl]-3-thiophen-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(3-propyl-1,2-oxazol-5-yl)methyl]-3-thiophen-2-ylpyrazole-5-carboxamide
PubChem CID50982065
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Name1-methyl-N-[(3-propyl-1,2-oxazol-5-yl)methyl]-3-thiophen-2-ylpyrazole-5-carboxamide
SMILESCCCc1cc(CNC(=O)c2cc(-c3cccs3)nn2C)on1
InChIInChI=1S/C16H18N4O2S/c1-3-5-11-8-12(22-19-11)10-17-16(21)14-9-13(18-20(14)2)15-6-4-7-23-15/h4,6-9H,3,5,10H2,1-2H3,(H,17,21)
InChIKeyOLJDGDHWAQOFRJ-UHFFFAOYSA-N
XLogP3.02
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(3-propyl-1,2-oxazol-5-yl)methyl]-3-thiophen-2-ylpyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-[(3-propyl-1,2-oxazol-5-yl)methyl]-3-thiophen-2-ylpyrazole-5-carboxamide (CID 50982065) is 1-methyl-N-[(3-propyl-1,2-oxazol-5-yl)methyl]-3-thiophen-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-[(3-propyl-1,2-oxazol-5-yl)methyl]-3-thiophen-2-ylpyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-[(3-propyl-1,2-oxazol-5-yl)methyl]-3-thiophen-2-ylpyrazole-5-carboxamide is CCCc1cc(CNC(=O)c2cc(-c3cccs3)nn2C)on1.
What is the InChIKey of 1-methyl-N-[(3-propyl-1,2-oxazol-5-yl)methyl]-3-thiophen-2-ylpyrazole-5-carboxamide?
The InChIKey is OLJDGDHWAQOFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S/c1-3-5-11-8-12(22-19-11)10-17-16(21)14-9-13(18-20(14)2)15-6-4-7-23-15/h4,6-9H,3,5,10H2,1-2H3,(H,17,21).
What are the key properties of 1-methyl-N-[(3-propyl-1,2-oxazol-5-yl)methyl]-3-thiophen-2-ylpyrazole-5-carboxamide?
1-methyl-N-[(3-propyl-1,2-oxazol-5-yl)methyl]-3-thiophen-2-ylpyrazole-5-carboxamide has a molecular weight of 330.41 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(3-propyl-1,2-oxazol-5-yl)methyl]-3-thiophen-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 50982065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).