N-(2-hydroxyethyl)-4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide

C16H14N6O2S — CID 70820328

About N-(2-hydroxyethyl)-4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide

N-(2-hydroxyethyl)-4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide (PubChem CID 70820328) has the molecular formula C16H14N6O2S and a molecular weight of 354.40 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-(2-hydroxyethyl)-4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide
• PubChem CID: 70820328
• Molecular Formula: C16H14N6O2S
• Molecular Weight: 354.40 g/mol
• Exact Mass: 354.09
• IUPAC Name: N-(2-hydroxyethyl)-4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide
• SMILES: O=C(NCCO)c1cc(-c2cnn3cc(-c4cn[nH]c4)cnc23)cs1
• InChI: InChI=1S/C16H14N6O2S/c23-2-1-17-16(24)14-3-10(9-25-14)13-7-21-22-8-12(4-18-15(13)22)11-5-19-20-6-11/h3-9,23H,1-2H2,(H,17,24)(H,19,20)
• InChIKey: RGVWLZLRUPZLBD-UHFFFAOYSA-N
• XLogP: 1.57
• TPSA: 108.20 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	354.40
LogP ≤ 5	1.57
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide?

The IUPAC name of N-(2-hydroxyethyl)-4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide (CID 70820328) is N-(2-hydroxyethyl)-4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide.

What is the SMILES notation for N-(2-hydroxyethyl)-4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide?

The canonical SMILES for N-(2-hydroxyethyl)-4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide is O=C(NCCO)c1cc(-c2cnn3cc(-c4cn[nH]c4)cnc23)cs1.

What is the InChIKey of N-(2-hydroxyethyl)-4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide?

The InChIKey is RGVWLZLRUPZLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O2S/c23-2-1-17-16(24)14-3-10(9-25-14)13-7-21-22-8-12(4-18-15(13)22)11-5-19-20-6-11/h3-9,23H,1-2H2,(H,17,24)(H,19,20).

What are the key properties of N-(2-hydroxyethyl)-4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide?

N-(2-hydroxyethyl)-4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide has a molecular weight of 354.40 g/mol, XLogP of 1.57, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-hydroxyethyl)-4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 70820328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).