5-tert-butyl-N-(2,6-dichlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C18H15Cl2F3N4O — CID 19466188

IUPAC5-tert-butyl-N-(2,6-dichlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCC(C)(C)c1cc(C(F)(F)F)n2nc(C(=O)Nc3c(Cl)cccc3Cl)cc2n1
InChIInChI=1S/C18H15Cl2F3N4O/c1-17(2,3)12-8-13(18(21,22)23)27-14(24-12)7-11(26-27)16(28)25-15-9(19)5-4-6-10(15)20/h4-8H,1-3H3,(H,25,28)
InChIKeyQZCDICIXSCRUKM-UHFFFAOYSA-N
MW431.25 g/mol
LogP5.60
Rot. Bonds2

About 5-tert-butyl-N-(2,6-dichlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

5-tert-butyl-N-(2,6-dichlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19466188) has the molecular formula C18H15Cl2F3N4O and a molecular weight of 431.25 g/mol. Its IUPAC name is 5-tert-butyl-N-(2,6-dichlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-N-(2,6-dichlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19466188
Molecular FormulaC18H15Cl2F3N4O
Molecular Weight431.25 g/mol
Exact Mass430.06
IUPAC Name5-tert-butyl-N-(2,6-dichlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCC(C)(C)c1cc(C(F)(F)F)n2nc(C(=O)Nc3c(Cl)cccc3Cl)cc2n1
InChIInChI=1S/C18H15Cl2F3N4O/c1-17(2,3)12-8-13(18(21,22)23)27-14(24-12)7-11(26-27)16(28)25-15-9(19)5-4-6-10(15)20/h4-8H,1-3H3,(H,25,28)
InChIKeyQZCDICIXSCRUKM-UHFFFAOYSA-N
XLogP5.60
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.25
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-tert-butyl-N-(2,3,5,6-tetrafluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19466160
5-tert-butyl-N-[1-[(3-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19466368
5-tert-butyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19466318
5-tert-butyl-N-[(4-fluorophenyl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19466177
5-tert-butyl-N-[2-(difluoromethoxy)-4-methylphenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19466300
3-[[5-tert-butyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19466380
5-tert-butyl-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19466261
5-cyclopropyl-N-(2,6-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19447361
5-tert-butyl-N-[1-ethyl-3-(methylcarbamoyl)pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19466414
N-(2,3-dichlorophenyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1015607
5-tert-butyl-N-(2-morpholin-4-ylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19466422
5-tert-butyl-N-[3-(4-chlorophenoxy)-5-nitrophenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19466281

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-(2,6-dichlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5-tert-butyl-N-(2,6-dichlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19466188) is 5-tert-butyl-N-(2,6-dichlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-tert-butyl-N-(2,6-dichlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5-tert-butyl-N-(2,6-dichlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is CC(C)(C)c1cc(C(F)(F)F)n2nc(C(=O)Nc3c(Cl)cccc3Cl)cc2n1.
What is the InChIKey of 5-tert-butyl-N-(2,6-dichlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is QZCDICIXSCRUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2F3N4O/c1-17(2,3)12-8-13(18(21,22)23)27-14(24-12)7-11(26-27)16(28)25-15-9(19)5-4-6-10(15)20/h4-8H,1-3H3,(H,25,28).
What are the key properties of 5-tert-butyl-N-(2,6-dichlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
5-tert-butyl-N-(2,6-dichlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 431.25 g/mol, XLogP of 5.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-(2,6-dichlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19466188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).