6-(2-hydroxyethyl)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

C21H24N4O2 — CID 51592360

About 6-(2-hydroxyethyl)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

6-(2-hydroxyethyl)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 51592360) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 6-(2-hydroxyethyl)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: 6-(2-hydroxyethyl)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
• PubChem CID: 51592360
• Molecular Formula: C21H24N4O2
• Molecular Weight: 364.45 g/mol
• Exact Mass: 364.19
• IUPAC Name: 6-(2-hydroxyethyl)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
• SMILES: C[C@H](NC(=O)c1cc2ncc(CCO)cn2n1)c1ccc2c(c1)CCCC2
• InChI: InChI=1S/C21H24N4O2/c1-14(17-7-6-16-4-2-3-5-18(16)10-17)23-21(27)19-11-20-22-12-15(8-9-26)13-25(20)24-19/h6-7,10-14,26H,2-5,8-9H2,1H3,(H,23,27)/t14-/m0/s1
• InChIKey: BYTJMKUTFWFXMV-AWEZNQCLSA-N
• XLogP: 2.63
• TPSA: 79.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.45
LogP ≤ 5	2.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxyethyl)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?

The IUPAC name of 6-(2-hydroxyethyl)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 51592360) is 6-(2-hydroxyethyl)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.

What is the SMILES notation for 6-(2-hydroxyethyl)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?

The canonical SMILES for 6-(2-hydroxyethyl)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is C[C@H](NC(=O)c1cc2ncc(CCO)cn2n1)c1ccc2c(c1)CCCC2.

What is the InChIKey of 6-(2-hydroxyethyl)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?

The InChIKey is BYTJMKUTFWFXMV-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-14(17-7-6-16-4-2-3-5-18(16)10-17)23-21(27)19-11-20-22-12-15(8-9-26)13-25(20)24-19/h6-7,10-14,26H,2-5,8-9H2,1H3,(H,23,27)/t14-/m0/s1.

What are the key properties of 6-(2-hydroxyethyl)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?

6-(2-hydroxyethyl)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-hydroxyethyl)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 51592360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).