6-bromo-N-(2-ethylphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C15H13BrN4O — CID 2980953

IUPAC6-bromo-N-(2-ethylphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCc1ccccc1NC(=O)c1cc2ncc(Br)cn2n1
InChIInChI=1S/C15H13BrN4O/c1-2-10-5-3-4-6-12(10)18-15(21)13-7-14-17-8-11(16)9-20(14)19-13/h3-9H,2H2,1H3,(H,18,21)
InChIKeyWXZIOXZQBZKBOW-UHFFFAOYSA-N
MW345.20 g/mol
LogP3.31
Rot. Bonds3

About 6-bromo-N-(2-ethylphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

6-bromo-N-(2-ethylphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 2980953) has the molecular formula C15H13BrN4O and a molecular weight of 345.20 g/mol. Its IUPAC name is 6-bromo-N-(2-ethylphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(2-ethylphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID2980953
Molecular FormulaC15H13BrN4O
Molecular Weight345.20 g/mol
Exact Mass344.03
IUPAC Name6-bromo-N-(2-ethylphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCc1ccccc1NC(=O)c1cc2ncc(Br)cn2n1
InChIInChI=1S/C15H13BrN4O/c1-2-10-5-3-4-6-12(10)18-15(21)13-7-14-17-8-11(16)9-20(14)19-13/h3-9H,2H2,1H3,(H,18,21)
InChIKeyWXZIOXZQBZKBOW-UHFFFAOYSA-N
XLogP3.31
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2-ethylphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 6-bromo-N-(2-ethylphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 2980953) is 6-bromo-N-(2-ethylphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-(2-ethylphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 6-bromo-N-(2-ethylphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is CCc1ccccc1NC(=O)c1cc2ncc(Br)cn2n1.
What is the InChIKey of 6-bromo-N-(2-ethylphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is WXZIOXZQBZKBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN4O/c1-2-10-5-3-4-6-12(10)18-15(21)13-7-14-17-8-11(16)9-20(14)19-13/h3-9H,2H2,1H3,(H,18,21).
What are the key properties of 6-bromo-N-(2-ethylphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
6-bromo-N-(2-ethylphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 345.20 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2-ethylphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 2980953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).