5-[(3-bromopyrazolo[1,5-a]pyrazin-4-yl)amino]-4-phenylpentan-2-ol

C17H19BrN4O — CID 167952717

IUPAC5-[(3-bromopyrazolo[1,5-a]pyrazin-4-yl)amino]-4-phenylpentan-2-ol
SMILESCC(O)CC(CNc1nccn2ncc(Br)c12)c1ccccc1
InChIInChI=1S/C17H19BrN4O/c1-12(23)9-14(13-5-3-2-4-6-13)10-20-17-16-15(18)11-21-22(16)8-7-19-17/h2-8,11-12,14,23H,9-10H2,1H3,(H,19,20)
InChIKeyITCDEVZQMHMSPD-UHFFFAOYSA-N
MW375.27 g/mol
LogP3.46
Rot. Bonds6

About 5-[(3-bromopyrazolo[1,5-a]pyrazin-4-yl)amino]-4-phenylpentan-2-ol

5-[(3-bromopyrazolo[1,5-a]pyrazin-4-yl)amino]-4-phenylpentan-2-ol (PubChem CID 167952717) has the molecular formula C17H19BrN4O and a molecular weight of 375.27 g/mol. Its IUPAC name is 5-[(3-bromopyrazolo[1,5-a]pyrazin-4-yl)amino]-4-phenylpentan-2-ol.

Molecular Properties

Compound Name5-[(3-bromopyrazolo[1,5-a]pyrazin-4-yl)amino]-4-phenylpentan-2-ol
PubChem CID167952717
Molecular FormulaC17H19BrN4O
Molecular Weight375.27 g/mol
Exact Mass374.07
IUPAC Name5-[(3-bromopyrazolo[1,5-a]pyrazin-4-yl)amino]-4-phenylpentan-2-ol
SMILESCC(O)CC(CNc1nccn2ncc(Br)c12)c1ccccc1
InChIInChI=1S/C17H19BrN4O/c1-12(23)9-14(13-5-3-2-4-6-13)10-20-17-16-15(18)11-21-22(16)8-7-19-17/h2-8,11-12,14,23H,9-10H2,1H3,(H,19,20)
InChIKeyITCDEVZQMHMSPD-UHFFFAOYSA-N
XLogP3.46
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromopyrazolo[1,5-a]pyrazin-4-yl)amino]-4-phenylpentan-2-ol?
The IUPAC name of 5-[(3-bromopyrazolo[1,5-a]pyrazin-4-yl)amino]-4-phenylpentan-2-ol (CID 167952717) is 5-[(3-bromopyrazolo[1,5-a]pyrazin-4-yl)amino]-4-phenylpentan-2-ol.
What is the SMILES notation for 5-[(3-bromopyrazolo[1,5-a]pyrazin-4-yl)amino]-4-phenylpentan-2-ol?
The canonical SMILES for 5-[(3-bromopyrazolo[1,5-a]pyrazin-4-yl)amino]-4-phenylpentan-2-ol is CC(O)CC(CNc1nccn2ncc(Br)c12)c1ccccc1.
What is the InChIKey of 5-[(3-bromopyrazolo[1,5-a]pyrazin-4-yl)amino]-4-phenylpentan-2-ol?
The InChIKey is ITCDEVZQMHMSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN4O/c1-12(23)9-14(13-5-3-2-4-6-13)10-20-17-16-15(18)11-21-22(16)8-7-19-17/h2-8,11-12,14,23H,9-10H2,1H3,(H,19,20).
What are the key properties of 5-[(3-bromopyrazolo[1,5-a]pyrazin-4-yl)amino]-4-phenylpentan-2-ol?
5-[(3-bromopyrazolo[1,5-a]pyrazin-4-yl)amino]-4-phenylpentan-2-ol has a molecular weight of 375.27 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-bromopyrazolo[1,5-a]pyrazin-4-yl)amino]-4-phenylpentan-2-ol is sourced from PubChem (CID 167952717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).