N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H15N5O3S — CID 55664001

About N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 55664001) has the molecular formula C23H15N5O3S and a molecular weight of 441.47 g/mol. Its IUPAC name is N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 55664001
• Molecular Formula: C23H15N5O3S
• Molecular Weight: 441.47 g/mol
• Exact Mass: 441.09
• IUPAC Name: N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1cnn2c(-c3ccccc3)ccnc12
• InChI: InChI=1S/C23H15N5O3S/c29-22(16-11-25-28-18(8-9-24-21(16)28)14-4-2-1-3-5-14)27-23-26-17(12-32-23)15-6-7-19-20(10-15)31-13-30-19/h1-12H,13H2,(H,26,27,29)
• InChIKey: IKDRHVGNRLPIDO-UHFFFAOYSA-N
• XLogP: 4.50
• TPSA: 90.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.47
LogP ≤ 5	4.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 55664001) is N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1cnn2c(-c3ccccc3)ccnc12.

What is the InChIKey of N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is IKDRHVGNRLPIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N5O3S/c29-22(16-11-25-28-18(8-9-24-21(16)28)14-4-2-1-3-5-14)27-23-26-17(12-32-23)15-6-7-19-20(10-15)31-13-30-19/h1-12H,13H2,(H,26,27,29).

What are the key properties of N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 441.47 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 55664001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).