N-(3-bromo-5-ethylphenyl)-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide

C23H21BrN4O2 — CID 147685981

IUPACN-(3-bromo-5-ethylphenyl)-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCc1cc(Br)cc(NC(=O)c2c(C)nc3c(-c4ccccc4)c(C)[nH]n3c2=O)c1
InChIInChI=1S/C23H21BrN4O2/c1-4-15-10-17(24)12-18(11-15)26-22(29)20-13(2)25-21-19(16-8-6-5-7-9-16)14(3)27-28(21)23(20)30/h5-12,27H,4H2,1-3H3,(H,26,29)
InChIKeyWOGIUMLDFYADNG-UHFFFAOYSA-N
MW465.35 g/mol
LogP4.88
Rot. Bonds4

About N-(3-bromo-5-ethylphenyl)-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide

N-(3-bromo-5-ethylphenyl)-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 147685981) has the molecular formula C23H21BrN4O2 and a molecular weight of 465.35 g/mol. Its IUPAC name is N-(3-bromo-5-ethylphenyl)-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-5-ethylphenyl)-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID147685981
Molecular FormulaC23H21BrN4O2
Molecular Weight465.35 g/mol
Exact Mass464.08
IUPAC NameN-(3-bromo-5-ethylphenyl)-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCc1cc(Br)cc(NC(=O)c2c(C)nc3c(-c4ccccc4)c(C)[nH]n3c2=O)c1
InChIInChI=1S/C23H21BrN4O2/c1-4-15-10-17(24)12-18(11-15)26-22(29)20-13(2)25-21-19(16-8-6-5-7-9-16)14(3)27-28(21)23(20)30/h5-12,27H,4H2,1-3H3,(H,26,29)
InChIKeyWOGIUMLDFYADNG-UHFFFAOYSA-N
XLogP4.88
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.35
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-ethylphenyl)-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(3-bromo-5-ethylphenyl)-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 147685981) is N-(3-bromo-5-ethylphenyl)-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(3-bromo-5-ethylphenyl)-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(3-bromo-5-ethylphenyl)-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide is CCc1cc(Br)cc(NC(=O)c2c(C)nc3c(-c4ccccc4)c(C)[nH]n3c2=O)c1.
What is the InChIKey of N-(3-bromo-5-ethylphenyl)-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is WOGIUMLDFYADNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrN4O2/c1-4-15-10-17(24)12-18(11-15)26-22(29)20-13(2)25-21-19(16-8-6-5-7-9-16)14(3)27-28(21)23(20)30/h5-12,27H,4H2,1-3H3,(H,26,29).
What are the key properties of N-(3-bromo-5-ethylphenyl)-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide?
N-(3-bromo-5-ethylphenyl)-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 465.35 g/mol, XLogP of 4.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-ethylphenyl)-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 147685981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).