3-bromo-5-(5-bromofuran-2-yl)-N-(2-phenylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C20H13Br2F3N4O2 — CID 1044755

IUPAC3-bromo-5-(5-bromofuran-2-yl)-N-(2-phenylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NCCc1ccccc1)c1nn2c(C(F)(F)F)cc(-c3ccc(Br)o3)nc2c1Br
InChIInChI=1S/C20H13Br2F3N4O2/c21-15-7-6-13(31-15)12-10-14(20(23,24)25)29-18(27-12)16(22)17(28-29)19(30)26-9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,26,30)
InChIKeyGWSFHEUREXJQOD-UHFFFAOYSA-N
MW558.15 g/mol
LogP5.51
Rot. Bonds5

About 3-bromo-5-(5-bromofuran-2-yl)-N-(2-phenylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

3-bromo-5-(5-bromofuran-2-yl)-N-(2-phenylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 1044755) has the molecular formula C20H13Br2F3N4O2 and a molecular weight of 558.15 g/mol. Its IUPAC name is 3-bromo-5-(5-bromofuran-2-yl)-N-(2-phenylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-5-(5-bromofuran-2-yl)-N-(2-phenylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID1044755
Molecular FormulaC20H13Br2F3N4O2
Molecular Weight558.15 g/mol
Exact Mass555.94
IUPAC Name3-bromo-5-(5-bromofuran-2-yl)-N-(2-phenylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NCCc1ccccc1)c1nn2c(C(F)(F)F)cc(-c3ccc(Br)o3)nc2c1Br
InChIInChI=1S/C20H13Br2F3N4O2/c21-15-7-6-13(31-15)12-10-14(20(23,24)25)29-18(27-12)16(22)17(28-29)19(30)26-9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,26,30)
InChIKeyGWSFHEUREXJQOD-UHFFFAOYSA-N
XLogP5.51
TPSA72.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.15
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-Furyl)-2-[(4-phenyl-1-piperazinyl)carbonyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 1102034
3,4-dihydroisoquinolin-2(1H)-yl[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
CID 1164916
5-(2-furyl)-N-methyl-7-(trifluoromethyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1223566
5-(Furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2056940
1-benzyl-N-[5-bromo-6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]pyrrolidine-3-carboxamide
CID 6539615
2-[4-[(dimethylamino)methyl]phenyl]-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide
CID 44454569
N-(4-chlorophenyl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 653390
7-[chloro(difluoro)methyl]-N-(2,4-difluorophenyl)-5-(furan-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1045066
7-[chloro(difluoro)methyl]-N-(2,5-difluorophenyl)-5-(furan-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1045170
3-chloro-5-(2-furanyl)-N-propan-2-yl-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinecarboxamide
CID 1068704
1-Azepanyl[5-(2-furyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
CID 1102035
7-(difluoromethyl)-N-(2-furylmethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1259765

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(5-bromofuran-2-yl)-N-(2-phenylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 3-bromo-5-(5-bromofuran-2-yl)-N-(2-phenylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 1044755) is 3-bromo-5-(5-bromofuran-2-yl)-N-(2-phenylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 3-bromo-5-(5-bromofuran-2-yl)-N-(2-phenylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 3-bromo-5-(5-bromofuran-2-yl)-N-(2-phenylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is O=C(NCCc1ccccc1)c1nn2c(C(F)(F)F)cc(-c3ccc(Br)o3)nc2c1Br.
What is the InChIKey of 3-bromo-5-(5-bromofuran-2-yl)-N-(2-phenylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is GWSFHEUREXJQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Br2F3N4O2/c21-15-7-6-13(31-15)12-10-14(20(23,24)25)29-18(27-12)16(22)17(28-29)19(30)26-9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,26,30).
What are the key properties of 3-bromo-5-(5-bromofuran-2-yl)-N-(2-phenylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
3-bromo-5-(5-bromofuran-2-yl)-N-(2-phenylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 558.15 g/mol, XLogP of 5.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(5-bromofuran-2-yl)-N-(2-phenylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 1044755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).