methyl 2-[(6-bromopyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]benzoate

C15H11BrN4O3 — CID 2235559

IUPACmethyl 2-[(6-bromopyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cc2ncc(Br)cn2n1
InChIInChI=1S/C15H11BrN4O3/c1-23-15(22)10-4-2-3-5-11(10)18-14(21)12-6-13-17-7-9(16)8-20(13)19-12/h2-8H,1H3,(H,18,21)
InChIKeyONENCKZISJXJPS-UHFFFAOYSA-N
MW375.18 g/mol
LogP2.53
Rot. Bonds3

About methyl 2-[(6-bromopyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]benzoate

methyl 2-[(6-bromopyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]benzoate (PubChem CID 2235559) has the molecular formula C15H11BrN4O3 and a molecular weight of 375.18 g/mol. Its IUPAC name is methyl 2-[(6-bromopyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(6-bromopyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]benzoate
PubChem CID2235559
Molecular FormulaC15H11BrN4O3
Molecular Weight375.18 g/mol
Exact Mass374.00
IUPAC Namemethyl 2-[(6-bromopyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cc2ncc(Br)cn2n1
InChIInChI=1S/C15H11BrN4O3/c1-23-15(22)10-4-2-3-5-11(10)18-14(21)12-6-13-17-7-9(16)8-20(13)19-12/h2-8H,1H3,(H,18,21)
InChIKeyONENCKZISJXJPS-UHFFFAOYSA-N
XLogP2.53
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.18
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-bromopyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]benzoate?
The IUPAC name of methyl 2-[(6-bromopyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]benzoate (CID 2235559) is methyl 2-[(6-bromopyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 2-[(6-bromopyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]benzoate?
The canonical SMILES for methyl 2-[(6-bromopyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]benzoate is COC(=O)c1ccccc1NC(=O)c1cc2ncc(Br)cn2n1.
What is the InChIKey of methyl 2-[(6-bromopyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]benzoate?
The InChIKey is ONENCKZISJXJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN4O3/c1-23-15(22)10-4-2-3-5-11(10)18-14(21)12-6-13-17-7-9(16)8-20(13)19-12/h2-8H,1H3,(H,18,21).
What are the key properties of methyl 2-[(6-bromopyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]benzoate?
methyl 2-[(6-bromopyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]benzoate has a molecular weight of 375.18 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-bromopyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]benzoate is sourced from PubChem (CID 2235559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).