5-tert-butyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C20H26F3N5O — CID 19466393

IUPAC5-tert-butyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCN1C2CCC1CC(NC(=O)c1cc3nc(C(C)(C)C)cc(C(F)(F)F)n3n1)C2
InChIInChI=1S/C20H26F3N5O/c1-19(2,3)15-10-16(20(21,22)23)28-17(25-15)9-14(26-28)18(29)24-11-7-12-5-6-13(8-11)27(12)4/h9-13H,5-8H2,1-4H3,(H,24,29)
InChIKeyDPPPOOONFARKPO-UHFFFAOYSA-N
MW409.46 g/mol
LogP3.40
Rot. Bonds2

About 5-tert-butyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

5-tert-butyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19466393) has the molecular formula C20H26F3N5O and a molecular weight of 409.46 g/mol. Its IUPAC name is 5-tert-butyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19466393
Molecular FormulaC20H26F3N5O
Molecular Weight409.46 g/mol
Exact Mass409.21
IUPAC Name5-tert-butyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCN1C2CCC1CC(NC(=O)c1cc3nc(C(C)(C)C)cc(C(F)(F)F)n3n1)C2
InChIInChI=1S/C20H26F3N5O/c1-19(2,3)15-10-16(20(21,22)23)28-17(25-15)9-14(26-28)18(29)24-11-7-12-5-6-13(8-11)27(12)4/h9-13H,5-8H2,1-4H3,(H,24,29)
InChIKeyDPPPOOONFARKPO-UHFFFAOYSA-N
XLogP3.40
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-tert-butyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide with MolForge

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Related Compounds

1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19267771
5-tert-butyl-N-(2-morpholin-4-ylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19466422
5-tert-butyl-N-(2,3,5,6-tetrafluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19466160
5-tert-butyl-N-(3-propan-2-yloxypropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19466432
5-tert-butyl-N-(2,6-dichlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19466188
5-tert-butyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19466316
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
5-tert-butyl-N-[1-ethyl-3-(methylcarbamoyl)pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19466414
7-[chloro(difluoro)methyl]-N-cyclopropyl-5-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19457963
5-tert-butyl-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19466201
methyl 2-[[5-tert-butyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-5-carbamoyl-4-methylthiophene-3-carboxylate
CID 19466239

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5-tert-butyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19466393) is 5-tert-butyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-tert-butyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5-tert-butyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is CN1C2CCC1CC(NC(=O)c1cc3nc(C(C)(C)C)cc(C(F)(F)F)n3n1)C2.
What is the InChIKey of 5-tert-butyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is DPPPOOONFARKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F3N5O/c1-19(2,3)15-10-16(20(21,22)23)28-17(25-15)9-14(26-28)18(29)24-11-7-12-5-6-13(8-11)27(12)4/h9-13H,5-8H2,1-4H3,(H,24,29).
What are the key properties of 5-tert-butyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
5-tert-butyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 409.46 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19466393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).