ethyl 3-bromo-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate

C10H10BrN3O2 — CID 57387343

IUPACethyl 3-bromo-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2c(Br)cnn2c1C
InChIInChI=1S/C10H10BrN3O2/c1-3-16-10(15)7-4-12-9-8(11)5-13-14(9)6(7)2/h4-5H,3H2,1-2H3
InChIKeyVIOCCXOFHZYPTJ-UHFFFAOYSA-N
MW284.11 g/mol
LogP1.98
Rot. Bonds2

About ethyl 3-bromo-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate

ethyl 3-bromo-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate (PubChem CID 57387343) has the molecular formula C10H10BrN3O2 and a molecular weight of 284.11 g/mol. Its IUPAC name is ethyl 3-bromo-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 3-bromo-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
PubChem CID57387343
Molecular FormulaC10H10BrN3O2
Molecular Weight284.11 g/mol
Exact Mass283.00
IUPAC Nameethyl 3-bromo-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2c(Br)cnn2c1C
InChIInChI=1S/C10H10BrN3O2/c1-3-16-10(15)7-4-12-9-8(11)5-13-14(9)6(7)2/h4-5H,3H2,1-2H3
InChIKeyVIOCCXOFHZYPTJ-UHFFFAOYSA-N
XLogP1.98
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.11
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 83730870
ethyl 3-(3-chlorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 10041419
ethyl 3,7-dichloropyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 131526354
ethyl 7-methyl-3-[(4-sulfamoylphenyl)carbamothioylamino]pyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 164613176
ethyl 2-ethyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 16583864
ethyl 6-bromopyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 45073325
ethyl 2-(hydroxymethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 66490634
ethyl 6-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 113225230
ethyl 1-cyclopropyl-5-methylpyrazole-4-carboxylate
CID 58861331
ethyl 3-bromopyrazolo[1,5-a]pyridine-7-carboxylate
CID 131437495
ethyl 4-oxo-3H-pyrazolo[1,5-a][1,3,5]triazine-8-carboxylate
CID 135441508
ethyl 4-bromo-6-propan-2-ylpyridine-3-carboxylate
CID 172993527

Frequently Asked Questions

What is the IUPAC name of ethyl 3-bromo-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 3-bromo-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate (CID 57387343) is ethyl 3-bromo-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 3-bromo-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 3-bromo-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate is CCOC(=O)c1cnc2c(Br)cnn2c1C.
What is the InChIKey of ethyl 3-bromo-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The InChIKey is VIOCCXOFHZYPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O2/c1-3-16-10(15)7-4-12-9-8(11)5-13-14(9)6(7)2/h4-5H,3H2,1-2H3.
What are the key properties of ethyl 3-bromo-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
ethyl 3-bromo-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate has a molecular weight of 284.11 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-bromo-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 57387343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).