5-(furan-2-yl)-N-[4-(methylsulfamoyl)phenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide

C19H18F3N5O4S — CID 3148230

IUPAC5-(furan-2-yl)-N-[4-(methylsulfamoyl)phenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCNS(=O)(=O)c1ccc(NC(=O)c2cc3n(n2)C(C(F)(F)F)CC(c2ccco2)N3)cc1
InChIInChI=1S/C19H18F3N5O4S/c1-23-32(29,30)12-6-4-11(5-7-12)24-18(28)14-10-17-25-13(15-3-2-8-31-15)9-16(19(20,21)22)27(17)26-14/h2-8,10,13,16,23,25H,9H2,1H3,(H,24,28)
InChIKeyJKYNULGOTNCPBY-UHFFFAOYSA-N
MW469.45 g/mol
LogP3.30
Rot. Bonds5

About 5-(furan-2-yl)-N-[4-(methylsulfamoyl)phenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide

5-(furan-2-yl)-N-[4-(methylsulfamoyl)phenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 3148230) has the molecular formula C19H18F3N5O4S and a molecular weight of 469.45 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-[4-(methylsulfamoyl)phenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-(furan-2-yl)-N-[4-(methylsulfamoyl)phenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID3148230
Molecular FormulaC19H18F3N5O4S
Molecular Weight469.45 g/mol
Exact Mass469.10
IUPAC Name5-(furan-2-yl)-N-[4-(methylsulfamoyl)phenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCNS(=O)(=O)c1ccc(NC(=O)c2cc3n(n2)C(C(F)(F)F)CC(c2ccco2)N3)cc1
InChIInChI=1S/C19H18F3N5O4S/c1-23-32(29,30)12-6-4-11(5-7-12)24-18(28)14-10-17-25-13(15-3-2-8-31-15)9-16(19(20,21)22)27(17)26-14/h2-8,10,13,16,23,25H,9H2,1H3,(H,24,28)
InChIKeyJKYNULGOTNCPBY-UHFFFAOYSA-N
XLogP3.30
TPSA118.26 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.45
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N-[4-(methylsulfamoyl)phenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5-(furan-2-yl)-N-[4-(methylsulfamoyl)phenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 3148230) is 5-(furan-2-yl)-N-[4-(methylsulfamoyl)phenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-(furan-2-yl)-N-[4-(methylsulfamoyl)phenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5-(furan-2-yl)-N-[4-(methylsulfamoyl)phenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide is CNS(=O)(=O)c1ccc(NC(=O)c2cc3n(n2)C(C(F)(F)F)CC(c2ccco2)N3)cc1.
What is the InChIKey of 5-(furan-2-yl)-N-[4-(methylsulfamoyl)phenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is JKYNULGOTNCPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5O4S/c1-23-32(29,30)12-6-4-11(5-7-12)24-18(28)14-10-17-25-13(15-3-2-8-31-15)9-16(19(20,21)22)27(17)26-14/h2-8,10,13,16,23,25H,9H2,1H3,(H,24,28).
What are the key properties of 5-(furan-2-yl)-N-[4-(methylsulfamoyl)phenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
5-(furan-2-yl)-N-[4-(methylsulfamoyl)phenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 469.45 g/mol, XLogP of 3.30, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-N-[4-(methylsulfamoyl)phenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 3148230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).