3-bromo-N-(5-chloro-2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C13H8BrClN4O2 — CID 19462067

IUPAC3-bromo-N-(5-chloro-2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1O)c1nn2cccnc2c1Br
InChIInChI=1S/C13H8BrClN4O2/c14-10-11(18-19-5-1-4-16-12(10)19)13(21)17-8-6-7(15)2-3-9(8)20/h1-6,20H,(H,17,21)
InChIKeyMNIVAKBDEFQQLD-UHFFFAOYSA-N
MW367.59 g/mol
LogP3.10
Rot. Bonds2

About 3-bromo-N-(5-chloro-2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

3-bromo-N-(5-chloro-2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19462067) has the molecular formula C13H8BrClN4O2 and a molecular weight of 367.59 g/mol. Its IUPAC name is 3-bromo-N-(5-chloro-2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(5-chloro-2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19462067
Molecular FormulaC13H8BrClN4O2
Molecular Weight367.59 g/mol
Exact Mass365.95
IUPAC Name3-bromo-N-(5-chloro-2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1O)c1nn2cccnc2c1Br
InChIInChI=1S/C13H8BrClN4O2/c14-10-11(18-19-5-1-4-16-12(10)19)13(21)17-8-6-7(15)2-3-9(8)20/h1-6,20H,(H,17,21)
InChIKeyMNIVAKBDEFQQLD-UHFFFAOYSA-N
XLogP3.10
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.59
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-(4-chloro-2-nitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19462102
3-bromo-N-(2-hydroxy-4-nitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19462344
3-chloro-N-(5-chloro-2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1259509
3-bromo-N-(4-methyl-2-nitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19462088
3-bromo-N-(2-methyl-4-nitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19462119
4-bromo-N-(5-chloro-2-hydroxyphenyl)-1-methylpyrazole-3-carboxamide
CID 19262709
3-bromo-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 146145687
3-bromo-N-[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19462308
3-(5-chloro-2-fluorophenyl)-N-cyclopropylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 118686646
2-amino-N-(5-chloro-2-hydroxyphenyl)pyridine-3-carboxamide
CID 82546413
4-chloro-2-[(3-hydroxypyridine-2-carbonyl)amino]benzoic acid
CID 60923710
3-chloro-N-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 5241863

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(5-chloro-2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 3-bromo-N-(5-chloro-2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19462067) is 3-bromo-N-(5-chloro-2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(5-chloro-2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 3-bromo-N-(5-chloro-2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is O=C(Nc1cc(Cl)ccc1O)c1nn2cccnc2c1Br.
What is the InChIKey of 3-bromo-N-(5-chloro-2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is MNIVAKBDEFQQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClN4O2/c14-10-11(18-19-5-1-4-16-12(10)19)13(21)17-8-6-7(15)2-3-9(8)20/h1-6,20H,(H,17,21).
What are the key properties of 3-bromo-N-(5-chloro-2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
3-bromo-N-(5-chloro-2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 367.59 g/mol, XLogP of 3.10, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(5-chloro-2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19462067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).