N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-1-phenyl-3-propan-2-ylpyrazole-5-carboxamide

C19H21N5O2S — CID 52996481

About N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-1-phenyl-3-propan-2-ylpyrazole-5-carboxamide

N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-1-phenyl-3-propan-2-ylpyrazole-5-carboxamide (PubChem CID 52996481) has the molecular formula C19H21N5O2S and a molecular weight of 383.48 g/mol. Its IUPAC name is N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-1-phenyl-3-propan-2-ylpyrazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-1-phenyl-3-propan-2-ylpyrazole-5-carboxamide
• PubChem CID: 52996481
• Molecular Formula: C19H21N5O2S
• Molecular Weight: 383.48 g/mol
• Exact Mass: 383.14
• IUPAC Name: N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-1-phenyl-3-propan-2-ylpyrazole-5-carboxamide
• SMILES: CC(C)c1cc(C(=O)Nc2nnc(C3CCCO3)s2)n(-c2ccccc2)n1
• InChI: InChI=1S/C19H21N5O2S/c1-12(2)14-11-15(24(23-14)13-7-4-3-5-8-13)17(25)20-19-22-21-18(27-19)16-9-6-10-26-16/h3-5,7-8,11-12,16H,6,9-10H2,1-2H3,(H,20,22,25)
• InChIKey: WVNWTIAZHJDJOU-UHFFFAOYSA-N
• XLogP: 3.95
• TPSA: 81.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.48
LogP ≤ 5	3.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-1-phenyl-3-propan-2-ylpyrazole-5-carboxamide?

The IUPAC name of N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-1-phenyl-3-propan-2-ylpyrazole-5-carboxamide (CID 52996481) is N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-1-phenyl-3-propan-2-ylpyrazole-5-carboxamide.

What is the SMILES notation for N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-1-phenyl-3-propan-2-ylpyrazole-5-carboxamide?

The canonical SMILES for N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-1-phenyl-3-propan-2-ylpyrazole-5-carboxamide is CC(C)c1cc(C(=O)Nc2nnc(C3CCCO3)s2)n(-c2ccccc2)n1.

What is the InChIKey of N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-1-phenyl-3-propan-2-ylpyrazole-5-carboxamide?

The InChIKey is WVNWTIAZHJDJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2S/c1-12(2)14-11-15(24(23-14)13-7-4-3-5-8-13)17(25)20-19-22-21-18(27-19)16-9-6-10-26-16/h3-5,7-8,11-12,16H,6,9-10H2,1-2H3,(H,20,22,25).

What are the key properties of N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-1-phenyl-3-propan-2-ylpyrazole-5-carboxamide?

N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-1-phenyl-3-propan-2-ylpyrazole-5-carboxamide has a molecular weight of 383.48 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-1-phenyl-3-propan-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 52996481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).