2-tert-butyl-N,5-bis(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide

C23H20F2N4O — CID 46079878

IUPAC2-tert-butyl-N,5-bis(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCC(C)(C)c1cc2nc(-c3ccccc3F)cc(C(=O)Nc3ccccc3F)n2n1
InChIInChI=1S/C23H20F2N4O/c1-23(2,3)20-13-21-26-18(14-8-4-5-9-15(14)24)12-19(29(21)28-20)22(30)27-17-11-7-6-10-16(17)25/h4-13H,1-3H3,(H,27,30)
InChIKeyDTKGAFJYKJQDMR-UHFFFAOYSA-N
MW406.44 g/mol
LogP5.22
Rot. Bonds3

About 2-tert-butyl-N,5-bis(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide

2-tert-butyl-N,5-bis(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 46079878) has the molecular formula C23H20F2N4O and a molecular weight of 406.44 g/mol. Its IUPAC name is 2-tert-butyl-N,5-bis(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N,5-bis(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
PubChem CID46079878
Molecular FormulaC23H20F2N4O
Molecular Weight406.44 g/mol
Exact Mass406.16
IUPAC Name2-tert-butyl-N,5-bis(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCC(C)(C)c1cc2nc(-c3ccccc3F)cc(C(=O)Nc3ccccc3F)n2n1
InChIInChI=1S/C23H20F2N4O/c1-23(2,3)20-13-21-26-18(14-8-4-5-9-15(14)24)12-19(29(21)28-20)22(30)27-17-11-7-6-10-16(17)25/h4-13H,1-3H3,(H,27,30)
InChIKeyDTKGAFJYKJQDMR-UHFFFAOYSA-N
XLogP5.22
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.44
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-N-(2-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 42877365
N-benzyl-2-tert-butyl-N-[2-(dimethylamino)ethyl]-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46079897
1-(2,4-dimethylphenyl)-N,3-bis(2-fluorophenyl)pyrazole-5-carboxamide
CID 3957723
N-butan-2-yl-2-tert-butyl-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46079790
2-tert-butyl-N,N-diethyl-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 42877392
2-(4-chlorophenyl)-5-(2-fluorophenyl)-N-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 42877638
2-tert-butyl-N-cyclohexyl-5-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46080012
2-tert-butyl-5-(2-chlorophenyl)-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46079808
2-(4-chlorophenyl)-N,N-diethyl-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 42877611
tert-butyl N-[6-[[2-tert-butyl-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]hexyl]carbamate
CID 42882271
5-(2-fluorophenyl)-N-(furan-2-ylmethyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46080130
2-tert-butyl-5-(4-methoxyphenyl)-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46079914

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N,5-bis(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The IUPAC name of 2-tert-butyl-N,5-bis(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide (CID 46079878) is 2-tert-butyl-N,5-bis(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide.
What is the SMILES notation for 2-tert-butyl-N,5-bis(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The canonical SMILES for 2-tert-butyl-N,5-bis(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide is CC(C)(C)c1cc2nc(-c3ccccc3F)cc(C(=O)Nc3ccccc3F)n2n1.
What is the InChIKey of 2-tert-butyl-N,5-bis(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The InChIKey is DTKGAFJYKJQDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N4O/c1-23(2,3)20-13-21-26-18(14-8-4-5-9-15(14)24)12-19(29(21)28-20)22(30)27-17-11-7-6-10-16(17)25/h4-13H,1-3H3,(H,27,30).
What are the key properties of 2-tert-butyl-N,5-bis(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?
2-tert-butyl-N,5-bis(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 406.44 g/mol, XLogP of 5.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N,5-bis(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 46079878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).