5-methyl-7-(1,1,2,2,2-pentafluoroethyl)-N-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

C17H10F8N4O2 — CID 19455760

IUPAC5-methyl-7-(1,1,2,2,2-pentafluoroethyl)-N-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C(F)(F)C(F)(F)F)n2nc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2n1
InChIInChI=1S/C17H10F8N4O2/c1-8-6-12(15(18,19)16(20,21)22)29-13(26-8)7-11(28-29)14(30)27-9-2-4-10(5-3-9)31-17(23,24)25/h2-7H,1H3,(H,27,30)
InChIKeyCKJOOIPOIYFPBW-UHFFFAOYSA-N
MW454.28 g/mol
LogP4.84
Rot. Bonds4

About 5-methyl-7-(1,1,2,2,2-pentafluoroethyl)-N-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

5-methyl-7-(1,1,2,2,2-pentafluoroethyl)-N-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19455760) has the molecular formula C17H10F8N4O2 and a molecular weight of 454.28 g/mol. Its IUPAC name is 5-methyl-7-(1,1,2,2,2-pentafluoroethyl)-N-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-7-(1,1,2,2,2-pentafluoroethyl)-N-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19455760
Molecular FormulaC17H10F8N4O2
Molecular Weight454.28 g/mol
Exact Mass454.07
IUPAC Name5-methyl-7-(1,1,2,2,2-pentafluoroethyl)-N-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C(F)(F)C(F)(F)F)n2nc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2n1
InChIInChI=1S/C17H10F8N4O2/c1-8-6-12(15(18,19)16(20,21)22)29-13(26-8)7-11(28-29)14(30)27-9-2-4-10(5-3-9)31-17(23,24)25/h2-7H,1H3,(H,27,30)
InChIKeyCKJOOIPOIYFPBW-UHFFFAOYSA-N
XLogP4.84
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.28
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 3-chloro-6-[[5-methyl-7-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-1-benzothiophene-2-carboxylate
CID 19455953
5-methyl-N-(1-methylpyrazol-3-yl)-7-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19455941
N-[3-(4-methoxyphenoxy)-5-nitrophenyl]-5-methyl-7-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19455854
N-(4-methoxy-2-nitrophenyl)-5-methyl-7-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19455763
5-(3,4-dichlorophenyl)-N-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 5123875
N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]-5-methyl-7-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19455847
N-[3-(2,5-dimethylphenoxy)-5-nitrophenyl]-5-methyl-7-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19455886
5-methyl-N-[4-(2-methylimidazol-1-yl)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19916014
N-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-methyl-7-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19455856
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-5-methyl-7-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19455890
ethyl 5-carbamoyl-4-methyl-2-[[5-methyl-7-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]thiophene-3-carboxylate
CID 19455790
N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-methyl-7-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19455773

Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-(1,1,2,2,2-pentafluoroethyl)-N-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5-methyl-7-(1,1,2,2,2-pentafluoroethyl)-N-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19455760) is 5-methyl-7-(1,1,2,2,2-pentafluoroethyl)-N-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-methyl-7-(1,1,2,2,2-pentafluoroethyl)-N-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5-methyl-7-(1,1,2,2,2-pentafluoroethyl)-N-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(C(F)(F)C(F)(F)F)n2nc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2n1.
What is the InChIKey of 5-methyl-7-(1,1,2,2,2-pentafluoroethyl)-N-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is CKJOOIPOIYFPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F8N4O2/c1-8-6-12(15(18,19)16(20,21)22)29-13(26-8)7-11(28-29)14(30)27-9-2-4-10(5-3-9)31-17(23,24)25/h2-7H,1H3,(H,27,30).
What are the key properties of 5-methyl-7-(1,1,2,2,2-pentafluoroethyl)-N-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
5-methyl-7-(1,1,2,2,2-pentafluoroethyl)-N-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 454.28 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-(1,1,2,2,2-pentafluoroethyl)-N-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19455760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).