(1S)-1-[5-[2-(6-methyl-2-pyridinyl)ethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol

C17H24N4O — CID 99975863

About (1S)-1-[5-[2-(6-methyl-2-pyridinyl)ethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol

(1S)-1-[5-[2-(6-methyl-2-pyridinyl)ethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol (PubChem CID 99975863) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is (1S)-1-[5-[2-(6-methyl-2-pyridinyl)ethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol.

Molecular Properties

• Compound Name: (1S)-1-[5-[2-(6-methyl-2-pyridinyl)ethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol
• PubChem CID: 99975863
• Molecular Formula: C17H24N4O
• Molecular Weight: 300.41 g/mol
• Exact Mass: 300.20
• IUPAC Name: (1S)-1-[5-[2-(6-methyl-2-pyridinyl)ethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol
• SMILES: Cc1cccc(CCN2CCCn3nc([C@H](C)O)cc3C2)n1
• InChI: InChI=1S/C17H24N4O/c1-13-5-3-6-15(18-13)7-10-20-8-4-9-21-16(12-20)11-17(19-21)14(2)22/h3,5-6,11,14,22H,4,7-10,12H2,1-2H3/t14-/m0/s1
• InChIKey: QSCYFOJDQMJOCO-AWEZNQCLSA-N
• XLogP: 2.09
• TPSA: 54.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	300.41
LogP ≤ 5	2.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-[2-(6-methyl-2-pyridinyl)ethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol?

The IUPAC name of (1S)-1-[5-[2-(6-methyl-2-pyridinyl)ethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol (CID 99975863) is (1S)-1-[5-[2-(6-methyl-2-pyridinyl)ethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol.

What is the SMILES notation for (1S)-1-[5-[2-(6-methyl-2-pyridinyl)ethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol?

The canonical SMILES for (1S)-1-[5-[2-(6-methyl-2-pyridinyl)ethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol is Cc1cccc(CCN2CCCn3nc([C@H](C)O)cc3C2)n1.

What is the InChIKey of (1S)-1-[5-[2-(6-methyl-2-pyridinyl)ethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol?

The InChIKey is QSCYFOJDQMJOCO-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H24N4O/c1-13-5-3-6-15(18-13)7-10-20-8-4-9-21-16(12-20)11-17(19-21)14(2)22/h3,5-6,11,14,22H,4,7-10,12H2,1-2H3/t14-/m0/s1.

What are the key properties of (1S)-1-[5-[2-(6-methyl-2-pyridinyl)ethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol?

(1S)-1-[5-[2-(6-methyl-2-pyridinyl)ethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol has a molecular weight of 300.41 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (1S)-1-[5-[2-(6-methyl-2-pyridinyl)ethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol is sourced from PubChem (CID 99975863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).