3-phenyl-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide

C24H21N5O2S — CID 23723228

About 3-phenyl-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide

3-phenyl-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide (PubChem CID 23723228) has the molecular formula C24H21N5O2S and a molecular weight of 443.53 g/mol. Its IUPAC name is 3-phenyl-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: 3-phenyl-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide
• PubChem CID: 23723228
• Molecular Formula: C24H21N5O2S
• Molecular Weight: 443.53 g/mol
• Exact Mass: 443.14
• IUPAC Name: 3-phenyl-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide
• SMILES: O=C(NCc1cccs1)c1cc(-c2ccccc2)nn1CC1CC(c2cccnc2)=NO1
• InChI: InChI=1S/C24H21N5O2S/c30-24(26-15-20-9-5-11-32-20)23-13-21(17-6-2-1-3-7-17)27-29(23)16-19-12-22(28-31-19)18-8-4-10-25-14-18/h1-11,13-14,19H,12,15-16H2,(H,26,30)
• InChIKey: BADICKUQZSEYFI-UHFFFAOYSA-N
• XLogP: 4.13
• TPSA: 81.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.53
LogP ≤ 5	4.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide?

The IUPAC name of 3-phenyl-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide (CID 23723228) is 3-phenyl-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide.

What is the SMILES notation for 3-phenyl-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide?

The canonical SMILES for 3-phenyl-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide is O=C(NCc1cccs1)c1cc(-c2ccccc2)nn1CC1CC(c2cccnc2)=NO1.

What is the InChIKey of 3-phenyl-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide?

The InChIKey is BADICKUQZSEYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O2S/c30-24(26-15-20-9-5-11-32-20)23-13-21(17-6-2-1-3-7-17)27-29(23)16-19-12-22(28-31-19)18-8-4-10-25-14-18/h1-11,13-14,19H,12,15-16H2,(H,26,30).

What are the key properties of 3-phenyl-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide?

3-phenyl-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide has a molecular weight of 443.53 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-phenyl-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 23723228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).