(2S)-2-(furan-2-ylmethyl)-3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]propan-1-ol

C17H21N5O2 — CID 95873065

About (2S)-2-(furan-2-ylmethyl)-3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]propan-1-ol

(2S)-2-(furan-2-ylmethyl)-3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]propan-1-ol (PubChem CID 95873065) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is (2S)-2-(furan-2-ylmethyl)-3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]propan-1-ol.

Molecular Properties

• Compound Name: (2S)-2-(furan-2-ylmethyl)-3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]propan-1-ol
• PubChem CID: 95873065
• Molecular Formula: C17H21N5O2
• Molecular Weight: 327.39 g/mol
• Exact Mass: 327.17
• IUPAC Name: (2S)-2-(furan-2-ylmethyl)-3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]propan-1-ol
• SMILES: OC[C@@H](Cc1ccco1)Cn1ccnc1-c1cc2n(n1)CCNC2
• InChI: InChI=1S/C17H21N5O2/c23-12-13(8-15-2-1-7-24-15)11-21-5-4-19-17(21)16-9-14-10-18-3-6-22(14)20-16/h1-2,4-5,7,9,13,18,23H,3,6,8,10-12H2/t13-/m0/s1
• InChIKey: KJHQEVNLZFRDPY-ZDUSSCGKSA-N
• XLogP: 1.29
• TPSA: 81.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	327.39
LogP ≤ 5	1.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(furan-2-ylmethyl)-3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]propan-1-ol?

The IUPAC name of (2S)-2-(furan-2-ylmethyl)-3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]propan-1-ol (CID 95873065) is (2S)-2-(furan-2-ylmethyl)-3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]propan-1-ol.

What is the SMILES notation for (2S)-2-(furan-2-ylmethyl)-3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]propan-1-ol?

The canonical SMILES for (2S)-2-(furan-2-ylmethyl)-3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]propan-1-ol is OC[C@@H](Cc1ccco1)Cn1ccnc1-c1cc2n(n1)CCNC2.

What is the InChIKey of (2S)-2-(furan-2-ylmethyl)-3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]propan-1-ol?

The InChIKey is KJHQEVNLZFRDPY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H21N5O2/c23-12-13(8-15-2-1-7-24-15)11-21-5-4-19-17(21)16-9-14-10-18-3-6-22(14)20-16/h1-2,4-5,7,9,13,18,23H,3,6,8,10-12H2/t13-/m0/s1.

What are the key properties of (2S)-2-(furan-2-ylmethyl)-3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]propan-1-ol?

(2S)-2-(furan-2-ylmethyl)-3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]propan-1-ol has a molecular weight of 327.39 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-(furan-2-ylmethyl)-3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]propan-1-ol is sourced from PubChem (CID 95873065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).