3-bromo-7-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one

C9H10BrN3O — CID 137224847

IUPAC3-bromo-7-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCC(C)c1cc(=O)[nH]c2c(Br)cnn12
InChIInChI=1S/C9H10BrN3O/c1-5(2)7-3-8(14)12-9-6(10)4-11-13(7)9/h3-5H,1-2H3,(H,12,14)
InChIKeyIEEZNZBMSFLBTI-UHFFFAOYSA-N
MW256.10 g/mol
LogP1.91
Rot. Bonds1

About 3-bromo-7-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one

3-bromo-7-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 137224847) has the molecular formula C9H10BrN3O and a molecular weight of 256.10 g/mol. Its IUPAC name is 3-bromo-7-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-bromo-7-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID137224847
Molecular FormulaC9H10BrN3O
Molecular Weight256.10 g/mol
Exact Mass255.00
IUPAC Name3-bromo-7-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCC(C)c1cc(=O)[nH]c2c(Br)cnn12
InChIInChI=1S/C9H10BrN3O/c1-5(2)7-3-8(14)12-9-6(10)4-11-13(7)9/h3-5H,1-2H3,(H,12,14)
InChIKeyIEEZNZBMSFLBTI-UHFFFAOYSA-N
XLogP1.91
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.10
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-5-oxo-7-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 171809141
3-bromo-7-(methoxymethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one
CID 137224852
3-iodo-2-methyl-7-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
CID 137004272
7-(2-methylpropyl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 137004056
7-tert-butyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 137004182
1-butan-2-yl-4-methyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135600424
1-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 136842584
7,9-dibromo-4-methyl-1H-pyrido[1,2-a]pyrimidine-2,8-dione
CID 166150349
3-chloro-7-[(2S,4R)-2-methylpiperidin-4-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one
CID 141489215
4-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 137187360
4-bromo-1,5-dimethylpyrazole;ethane
CID 156642673
1-heptan-2-yl-4-methyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 145089503

Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 3-bromo-7-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 137224847) is 3-bromo-7-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 3-bromo-7-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 3-bromo-7-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is CC(C)c1cc(=O)[nH]c2c(Br)cnn12.
What is the InChIKey of 3-bromo-7-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is IEEZNZBMSFLBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3O/c1-5(2)7-3-8(14)12-9-6(10)4-11-13(7)9/h3-5H,1-2H3,(H,12,14).
What are the key properties of 3-bromo-7-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
3-bromo-7-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 256.10 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 137224847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).