ethyl 6-bromo-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate

C10H10BrN3O2 — CID 13425204

IUPACethyl 6-bromo-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1c(C)nn2cc(Br)cnc12
InChIInChI=1S/C10H10BrN3O2/c1-3-16-10(15)8-6(2)13-14-5-7(11)4-12-9(8)14/h4-5H,3H2,1-2H3
InChIKeyIWUAKWBXMZSTCM-UHFFFAOYSA-N
MW284.11 g/mol
LogP1.98
Rot. Bonds2

About ethyl 6-bromo-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate

ethyl 6-bromo-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 13425204) has the molecular formula C10H10BrN3O2 and a molecular weight of 284.11 g/mol. Its IUPAC name is ethyl 6-bromo-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-bromo-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID13425204
Molecular FormulaC10H10BrN3O2
Molecular Weight284.11 g/mol
Exact Mass283.00
IUPAC Nameethyl 6-bromo-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1c(C)nn2cc(Br)cnc12
InChIInChI=1S/C10H10BrN3O2/c1-3-16-10(15)8-6(2)13-14-5-7(11)4-12-9(8)14/h4-5H,3H2,1-2H3
InChIKeyIWUAKWBXMZSTCM-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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Frequently Asked Questions

What is the IUPAC name of ethyl 6-bromo-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 6-bromo-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 13425204) is ethyl 6-bromo-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 6-bromo-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 6-bromo-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate is CCOC(=O)c1c(C)nn2cc(Br)cnc12.
What is the InChIKey of ethyl 6-bromo-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is IWUAKWBXMZSTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O2/c1-3-16-10(15)8-6(2)13-14-5-7(11)4-12-9(8)14/h4-5H,3H2,1-2H3.
What are the key properties of ethyl 6-bromo-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
ethyl 6-bromo-2-methylpyrazolo[1,5-a]pyrimidine-3-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 6-bromo-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 13425204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).