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

C15H21BrN4O2 — CID 167917745

IUPAC2-[(3-bromopyrazolo[1,5-a]pyrazin-4-yl)amino]-2-(3-methoxycyclohexyl)ethanol
SMILESCOC1CCCC(C(CO)Nc2nccn3ncc(Br)c23)C1
InChIInChI=1S/C15H21BrN4O2/c1-22-11-4-2-3-10(7-11)13(9-21)19-15-14-12(16)8-18-20(14)6-5-17-15/h5-6,8,10-11,13,21H,2-4,7,9H2,1H3,(H,17,19)
InChIKeyCRZAVUJAHLPCOG-UHFFFAOYSA-N
MW369.26 g/mol
LogP2.47
Rot. Bonds5

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

2-[(3-bromopyrazolo[1,5-a]pyrazin-4-yl)amino]-2-(3-methoxycyclohexyl)ethanol (PubChem CID 167917745) has the molecular formula C15H21BrN4O2 and a molecular weight of 369.26 g/mol. Its IUPAC name is 2-[(3-bromopyrazolo[1,5-a]pyrazin-4-yl)amino]-2-(3-methoxycyclohexyl)ethanol.

Molecular Properties

Compound Name2-[(3-bromopyrazolo[1,5-a]pyrazin-4-yl)amino]-2-(3-methoxycyclohexyl)ethanol
PubChem CID167917745
Molecular FormulaC15H21BrN4O2
Molecular Weight369.26 g/mol
Exact Mass368.08
IUPAC Name2-[(3-bromopyrazolo[1,5-a]pyrazin-4-yl)amino]-2-(3-methoxycyclohexyl)ethanol
SMILESCOC1CCCC(C(CO)Nc2nccn3ncc(Br)c23)C1
InChIInChI=1S/C15H21BrN4O2/c1-22-11-4-2-3-10(7-11)13(9-21)19-15-14-12(16)8-18-20(14)6-5-17-15/h5-6,8,10-11,13,21H,2-4,7,9H2,1H3,(H,17,19)
InChIKeyCRZAVUJAHLPCOG-UHFFFAOYSA-N
XLogP2.47
TPSA71.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.26
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromopyrazolo[1,5-a]pyrazin-4-yl)amino]-2-(3-methoxycyclohexyl)ethanol?
The IUPAC name of 2-[(3-bromopyrazolo[1,5-a]pyrazin-4-yl)amino]-2-(3-methoxycyclohexyl)ethanol (CID 167917745) is 2-[(3-bromopyrazolo[1,5-a]pyrazin-4-yl)amino]-2-(3-methoxycyclohexyl)ethanol.
What is the SMILES notation for 2-[(3-bromopyrazolo[1,5-a]pyrazin-4-yl)amino]-2-(3-methoxycyclohexyl)ethanol?
The canonical SMILES for 2-[(3-bromopyrazolo[1,5-a]pyrazin-4-yl)amino]-2-(3-methoxycyclohexyl)ethanol is COC1CCCC(C(CO)Nc2nccn3ncc(Br)c23)C1.
What is the InChIKey of 2-[(3-bromopyrazolo[1,5-a]pyrazin-4-yl)amino]-2-(3-methoxycyclohexyl)ethanol?
The InChIKey is CRZAVUJAHLPCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN4O2/c1-22-11-4-2-3-10(7-11)13(9-21)19-15-14-12(16)8-18-20(14)6-5-17-15/h5-6,8,10-11,13,21H,2-4,7,9H2,1H3,(H,17,19).
What are the key properties of 2-[(3-bromopyrazolo[1,5-a]pyrazin-4-yl)amino]-2-(3-methoxycyclohexyl)ethanol?
2-[(3-bromopyrazolo[1,5-a]pyrazin-4-yl)amino]-2-(3-methoxycyclohexyl)ethanol has a molecular weight of 369.26 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromopyrazolo[1,5-a]pyrazin-4-yl)amino]-2-(3-methoxycyclohexyl)ethanol is sourced from PubChem (CID 167917745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).