5-(4-bromo-2-methylphenoxy)pyrazolo[1,5-a]pyrimidine

C13H10BrN3O — CID 115372263

IUPAC5-(4-bromo-2-methylphenoxy)pyrazolo[1,5-a]pyrimidine
SMILESCc1cc(Br)ccc1Oc1ccn2nccc2n1
InChIInChI=1S/C13H10BrN3O/c1-9-8-10(14)2-3-11(9)18-13-5-7-17-12(16-13)4-6-15-17/h2-8H,1H3
InChIKeyLVVATHZEMCDDQO-UHFFFAOYSA-N
MW304.15 g/mol
LogP3.59
Rot. Bonds2

About 5-(4-bromo-2-methylphenoxy)pyrazolo[1,5-a]pyrimidine

5-(4-bromo-2-methylphenoxy)pyrazolo[1,5-a]pyrimidine (PubChem CID 115372263) has the molecular formula C13H10BrN3O and a molecular weight of 304.15 g/mol. Its IUPAC name is 5-(4-bromo-2-methylphenoxy)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(4-bromo-2-methylphenoxy)pyrazolo[1,5-a]pyrimidine
PubChem CID115372263
Molecular FormulaC13H10BrN3O
Molecular Weight304.15 g/mol
Exact Mass303.00
IUPAC Name5-(4-bromo-2-methylphenoxy)pyrazolo[1,5-a]pyrimidine
SMILESCc1cc(Br)ccc1Oc1ccn2nccc2n1
InChIInChI=1S/C13H10BrN3O/c1-9-8-10(14)2-3-11(9)18-13-5-7-17-12(16-13)4-6-15-17/h2-8H,1H3
InChIKeyLVVATHZEMCDDQO-UHFFFAOYSA-N
XLogP3.59
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.15
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-bromo-3-methylphenoxy)pyrazolo[1,5-a]pyrimidine
CID 83132957
5-methoxy-2-pyrazolo[1,5-a]pyrimidin-5-yloxyaniline
CID 115372664
5-(4-bromo-3-fluorophenoxy)pyrazolo[1,5-a]pyrimidine
CID 115372265
(2-pyrazolo[1,5-a]pyrimidin-5-yloxyphenyl)methanol
CID 107713486
2-(4-bromo-2-methylphenoxy)-3-(chloromethyl)imidazo[1,2-a]pyridine
CID 63566085
(2-fluoro-6-pyrazolo[1,5-a]pyrimidin-5-yloxyphenyl)methanamine
CID 115372963
N-[[6-(4-bromo-2-methylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 63217068
1-[2-(4-bromo-2-methylphenoxy)-3-pyridinyl]ethanone
CID 114055671
3-fluoro-2-pyrazolo[1,5-a]pyrimidin-5-yloxyaniline
CID 104832144
8-(4-bromo-2-methylphenoxy)imidazo[1,2-a]pyrazin-6-amine
CID 80879807
N-[[6-(4-bromo-2-methylphenoxy)pyrazin-2-yl]methyl]ethanamine
CID 66467274
4-(4-bromo-2-methylphenoxy)-2-chloro-6-(trifluoromethyl)pyrimidine
CID 114562091

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-2-methylphenoxy)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(4-bromo-2-methylphenoxy)pyrazolo[1,5-a]pyrimidine (CID 115372263) is 5-(4-bromo-2-methylphenoxy)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(4-bromo-2-methylphenoxy)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(4-bromo-2-methylphenoxy)pyrazolo[1,5-a]pyrimidine is Cc1cc(Br)ccc1Oc1ccn2nccc2n1.
What is the InChIKey of 5-(4-bromo-2-methylphenoxy)pyrazolo[1,5-a]pyrimidine?
The InChIKey is LVVATHZEMCDDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3O/c1-9-8-10(14)2-3-11(9)18-13-5-7-17-12(16-13)4-6-15-17/h2-8H,1H3.
What are the key properties of 5-(4-bromo-2-methylphenoxy)pyrazolo[1,5-a]pyrimidine?
5-(4-bromo-2-methylphenoxy)pyrazolo[1,5-a]pyrimidine has a molecular weight of 304.15 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-2-methylphenoxy)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 115372263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).