N-(2-bromo-4-fluorophenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

C14H10BrFN4O2 — CID 50926730

IUPACN-(2-bromo-4-fluorophenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(=O)n2[nH]cc(C(=O)Nc3ccc(F)cc3Br)c2n1
InChIInChI=1S/C14H10BrFN4O2/c1-7-4-12(21)20-13(18-7)9(6-17-20)14(22)19-11-3-2-8(16)5-10(11)15/h2-6,17H,1H3,(H,19,22)
InChIKeySCMBKVFVMJDETM-UHFFFAOYSA-N
MW365.16 g/mol
LogP2.48
Rot. Bonds2

About N-(2-bromo-4-fluorophenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(2-bromo-4-fluorophenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 50926730) has the molecular formula C14H10BrFN4O2 and a molecular weight of 365.16 g/mol. Its IUPAC name is N-(2-bromo-4-fluorophenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-fluorophenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID50926730
Molecular FormulaC14H10BrFN4O2
Molecular Weight365.16 g/mol
Exact Mass364.00
IUPAC NameN-(2-bromo-4-fluorophenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(=O)n2[nH]cc(C(=O)Nc3ccc(F)cc3Br)c2n1
InChIInChI=1S/C14H10BrFN4O2/c1-7-4-12(21)20-13(18-7)9(6-17-20)14(22)19-11-3-2-8(16)5-10(11)15/h2-6,17H,1H3,(H,19,22)
InChIKeySCMBKVFVMJDETM-UHFFFAOYSA-N
XLogP2.48
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.16
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-fluorophenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(2-bromo-4-fluorophenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 50926730) is N-(2-bromo-4-fluorophenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(2-bromo-4-fluorophenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(2-bromo-4-fluorophenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(=O)n2[nH]cc(C(=O)Nc3ccc(F)cc3Br)c2n1.
What is the InChIKey of N-(2-bromo-4-fluorophenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is SCMBKVFVMJDETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN4O2/c1-7-4-12(21)20-13(18-7)9(6-17-20)14(22)19-11-3-2-8(16)5-10(11)15/h2-6,17H,1H3,(H,19,22).
What are the key properties of N-(2-bromo-4-fluorophenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(2-bromo-4-fluorophenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 365.16 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-fluorophenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 50926730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).