2-(3-bromophenyl)-5-(methoxymethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

C14H12BrN3O2 — CID 761946

IUPAC2-(3-bromophenyl)-5-(methoxymethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOCc1cc(=O)n2[nH]c(-c3cccc(Br)c3)cc2n1
InChIInChI=1S/C14H12BrN3O2/c1-20-8-11-6-14(19)18-13(16-11)7-12(17-18)9-3-2-4-10(15)5-9/h2-7,17H,8H2,1H3
InChIKeyQZUIYJFVRPVQJS-UHFFFAOYSA-N
MW334.17 g/mol
LogP2.60
Rot. Bonds3

About 2-(3-bromophenyl)-5-(methoxymethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

2-(3-bromophenyl)-5-(methoxymethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 761946) has the molecular formula C14H12BrN3O2 and a molecular weight of 334.17 g/mol. Its IUPAC name is 2-(3-bromophenyl)-5-(methoxymethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-(3-bromophenyl)-5-(methoxymethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID761946
Molecular FormulaC14H12BrN3O2
Molecular Weight334.17 g/mol
Exact Mass333.01
IUPAC Name2-(3-bromophenyl)-5-(methoxymethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOCc1cc(=O)n2[nH]c(-c3cccc(Br)c3)cc2n1
InChIInChI=1S/C14H12BrN3O2/c1-20-8-11-6-14(19)18-13(16-11)7-12(17-18)9-3-2-4-10(15)5-9/h2-7,17H,8H2,1H3
InChIKeyQZUIYJFVRPVQJS-UHFFFAOYSA-N
XLogP2.60
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.17
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(methoxymethyl)-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 737233
5-(methoxymethyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 685204
2-(4-Bromo-phenyl)-5-phenyl-pyrazolo[1,5-a]pyrimidin-7-ol
CID 1081354
2-(4-bromophenyl)-5-propylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 694372
2-(3-Bromo-phenyl)-5-propyl-4H-pyrazolo[1,5-a]pyrimidin-7-one
CID 761944
2-(4-Bromo-phenyl)-6-chloro-5-methyl-pyrazolo[1,5-a]pyrimidin-7-ol
CID 810755
2-(3-Bromophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 627570
2-(3-bromophenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 694716
5-(methoxymethyl)-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 761945
2-(4-Bromophenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-ol
CID 810752
[3-(4-bromophenyl)-7-oxo-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-yl]methyl acetate
CID 49769334
Brca2-rad51-IN-1
CID 170453342

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-5-(methoxymethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-(3-bromophenyl)-5-(methoxymethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 761946) is 2-(3-bromophenyl)-5-(methoxymethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-(3-bromophenyl)-5-(methoxymethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-(3-bromophenyl)-5-(methoxymethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is COCc1cc(=O)n2[nH]c(-c3cccc(Br)c3)cc2n1.
What is the InChIKey of 2-(3-bromophenyl)-5-(methoxymethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is QZUIYJFVRPVQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O2/c1-20-8-11-6-14(19)18-13(16-11)7-12(17-18)9-3-2-4-10(15)5-9/h2-7,17H,8H2,1H3.
What are the key properties of 2-(3-bromophenyl)-5-(methoxymethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-(3-bromophenyl)-5-(methoxymethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 334.17 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-5-(methoxymethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 761946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).