N-(4-bromo-2-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxamide

C14H14BrFN4O — CID 20929116

IUPACN-(4-bromo-2-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxamide
SMILESCc1cc2n(n1)CCCN2C(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C14H14BrFN4O/c1-9-7-13-19(5-2-6-20(13)18-9)14(21)17-12-4-3-10(15)8-11(12)16/h3-4,7-8H,2,5-6H2,1H3,(H,17,21)
InChIKeyQZABNYBLMFLXIL-UHFFFAOYSA-N
MW353.20 g/mol
LogP3.54
Rot. Bonds1

About N-(4-bromo-2-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxamide

N-(4-bromo-2-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxamide (PubChem CID 20929116) has the molecular formula C14H14BrFN4O and a molecular weight of 353.20 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxamide
PubChem CID20929116
Molecular FormulaC14H14BrFN4O
Molecular Weight353.20 g/mol
Exact Mass352.03
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxamide
SMILESCc1cc2n(n1)CCCN2C(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C14H14BrFN4O/c1-9-7-13-19(5-2-6-20(13)18-9)14(21)17-12-4-3-10(15)8-11(12)16/h3-4,7-8H,2,5-6H2,1H3,(H,17,21)
InChIKeyQZABNYBLMFLXIL-UHFFFAOYSA-N
XLogP3.54
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.20
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxamide (CID 20929116) is N-(4-bromo-2-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxamide is Cc1cc2n(n1)CCCN2C(=O)Nc1ccc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxamide?
The InChIKey is QZABNYBLMFLXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN4O/c1-9-7-13-19(5-2-6-20(13)18-9)14(21)17-12-4-3-10(15)8-11(12)16/h3-4,7-8H,2,5-6H2,1H3,(H,17,21).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxamide?
N-(4-bromo-2-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxamide has a molecular weight of 353.20 g/mol, XLogP of 3.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxamide is sourced from PubChem (CID 20929116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).