N-(7-amino-3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-2-yl)acetamide

C14H12BrN5O — CID 58853489

IUPACN-(7-amino-3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-2-yl)acetamide
SMILESCC(=O)Nc1nn2c(N)cc(-c3ccccc3)nc2c1Br
InChIInChI=1S/C14H12BrN5O/c1-8(21)17-13-12(15)14-18-10(7-11(16)20(14)19-13)9-5-3-2-4-6-9/h2-7H,16H2,1H3,(H,17,19,21)
InChIKeyJERAKHJPSWDRNF-UHFFFAOYSA-N
MW346.19 g/mol
LogP2.70
Rot. Bonds2

About N-(7-amino-3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-2-yl)acetamide

N-(7-amino-3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-2-yl)acetamide (PubChem CID 58853489) has the molecular formula C14H12BrN5O and a molecular weight of 346.19 g/mol. Its IUPAC name is N-(7-amino-3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-2-yl)acetamide.

Molecular Properties

Compound NameN-(7-amino-3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-2-yl)acetamide
PubChem CID58853489
Molecular FormulaC14H12BrN5O
Molecular Weight346.19 g/mol
Exact Mass345.02
IUPAC NameN-(7-amino-3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-2-yl)acetamide
SMILESCC(=O)Nc1nn2c(N)cc(-c3ccccc3)nc2c1Br
InChIInChI=1S/C14H12BrN5O/c1-8(21)17-13-12(15)14-18-10(7-11(16)20(14)19-13)9-5-3-2-4-6-9/h2-7H,16H2,1H3,(H,17,19,21)
InChIKeyJERAKHJPSWDRNF-UHFFFAOYSA-N
XLogP2.70
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.19
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-bromo-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate
CID 19916288
(2R)-2-[(2,3-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-4-methylpentanamide
CID 56884809
N-(4-oxo-2-phenylpyrido[1,2-a]pyrimidin-6-yl)acetamide
CID 14686968
N-[4-(2-amino-3-cyano-6-phenyl-4-pyridinyl)phenyl]acetamide
CID 3351971
N-[4-(6-amino-5-cyano-4-phenyl-2-pyridinyl)phenyl]acetamide
CID 856313
methyl (E)-3-(2-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidin-3-yl)prop-2-enoate
CID 101352935
3-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 113433503
N-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)acetamide
CID 135590630
N-benzyl-3-bromo-N-methyl-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 4520457
ethyl 2-(5-amino-3-phenylpyrazol-1-yl)acetate
CID 820314
3-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 170092111
2-(5-acetamido-6-oxo-3-phenylpyridazin-1-yl)-N-(2-bromophenyl)acetamide
CID 50812937

Frequently Asked Questions

What is the IUPAC name of N-(7-amino-3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-2-yl)acetamide?
The IUPAC name of N-(7-amino-3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-2-yl)acetamide (CID 58853489) is N-(7-amino-3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-2-yl)acetamide.
What is the SMILES notation for N-(7-amino-3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-2-yl)acetamide?
The canonical SMILES for N-(7-amino-3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-2-yl)acetamide is CC(=O)Nc1nn2c(N)cc(-c3ccccc3)nc2c1Br.
What is the InChIKey of N-(7-amino-3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-2-yl)acetamide?
The InChIKey is JERAKHJPSWDRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN5O/c1-8(21)17-13-12(15)14-18-10(7-11(16)20(14)19-13)9-5-3-2-4-6-9/h2-7H,16H2,1H3,(H,17,19,21).
What are the key properties of N-(7-amino-3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-2-yl)acetamide?
N-(7-amino-3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-2-yl)acetamide has a molecular weight of 346.19 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-amino-3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-2-yl)acetamide is sourced from PubChem (CID 58853489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).