4-[2-bromo-5-[3-(3-methylphenyl)pyrazol-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine

C20H19BrN6O — CID 163266560

IUPAC4-[2-bromo-5-[3-(3-methylphenyl)pyrazol-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESCc1cccc(-c2ccn(-c3cc(N4CCOCC4)n4nc(Br)cc4n3)n2)c1
InChIInChI=1S/C20H19BrN6O/c1-14-3-2-4-15(11-14)16-5-6-26(23-16)18-13-20(25-7-9-28-10-8-25)27-19(22-18)12-17(21)24-27/h2-6,11-13H,7-10H2,1H3
InChIKeyZDUJCMVSKJUGCV-UHFFFAOYSA-N
MW439.32 g/mol
LogP3.49
Rot. Bonds3

About 4-[2-bromo-5-[3-(3-methylphenyl)pyrazol-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine

4-[2-bromo-5-[3-(3-methylphenyl)pyrazol-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine (PubChem CID 163266560) has the molecular formula C20H19BrN6O and a molecular weight of 439.32 g/mol. Its IUPAC name is 4-[2-bromo-5-[3-(3-methylphenyl)pyrazol-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine.

Molecular Properties

Compound Name4-[2-bromo-5-[3-(3-methylphenyl)pyrazol-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
PubChem CID163266560
Molecular FormulaC20H19BrN6O
Molecular Weight439.32 g/mol
Exact Mass438.08
IUPAC Name4-[2-bromo-5-[3-(3-methylphenyl)pyrazol-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESCc1cccc(-c2ccn(-c3cc(N4CCOCC4)n4nc(Br)cc4n3)n2)c1
InChIInChI=1S/C20H19BrN6O/c1-14-3-2-4-15(11-14)16-5-6-26(23-16)18-13-20(25-7-9-28-10-8-25)27-19(22-18)12-17(21)24-27/h2-6,11-13H,7-10H2,1H3
InChIKeyZDUJCMVSKJUGCV-UHFFFAOYSA-N
XLogP3.49
TPSA60.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.32
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-bromo-5-[3-(3-methylphenyl)pyrazol-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The IUPAC name of 4-[2-bromo-5-[3-(3-methylphenyl)pyrazol-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine (CID 163266560) is 4-[2-bromo-5-[3-(3-methylphenyl)pyrazol-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine.
What is the SMILES notation for 4-[2-bromo-5-[3-(3-methylphenyl)pyrazol-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The canonical SMILES for 4-[2-bromo-5-[3-(3-methylphenyl)pyrazol-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine is Cc1cccc(-c2ccn(-c3cc(N4CCOCC4)n4nc(Br)cc4n3)n2)c1.
What is the InChIKey of 4-[2-bromo-5-[3-(3-methylphenyl)pyrazol-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The InChIKey is ZDUJCMVSKJUGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN6O/c1-14-3-2-4-15(11-14)16-5-6-26(23-16)18-13-20(25-7-9-28-10-8-25)27-19(22-18)12-17(21)24-27/h2-6,11-13H,7-10H2,1H3.
What are the key properties of 4-[2-bromo-5-[3-(3-methylphenyl)pyrazol-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
4-[2-bromo-5-[3-(3-methylphenyl)pyrazol-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine has a molecular weight of 439.32 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-bromo-5-[3-(3-methylphenyl)pyrazol-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine is sourced from PubChem (CID 163266560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).