5-methyl-7-oxo-3-phenyl-N-propylsulfonyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide

C18H17F3N4O4S — CID 138557531

IUPAC5-methyl-7-oxo-3-phenyl-N-propylsulfonyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCCS(=O)(=O)NC(=O)c1c(C)nc2c(-c3ccccc3)c(C(F)(F)F)[nH]n2c1=O
InChIInChI=1S/C18H17F3N4O4S/c1-3-9-30(28,29)24-16(26)12-10(2)22-15-13(11-7-5-4-6-8-11)14(18(19,20)21)23-25(15)17(12)27/h4-8,23H,3,9H2,1-2H3,(H,24,26)
InChIKeyAOSGBZVQFMYFAK-UHFFFAOYSA-N
MW442.42 g/mol
LogP2.49
Rot. Bonds5

About 5-methyl-7-oxo-3-phenyl-N-propylsulfonyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide

5-methyl-7-oxo-3-phenyl-N-propylsulfonyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 138557531) has the molecular formula C18H17F3N4O4S and a molecular weight of 442.42 g/mol. Its IUPAC name is 5-methyl-7-oxo-3-phenyl-N-propylsulfonyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-methyl-7-oxo-3-phenyl-N-propylsulfonyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID138557531
Molecular FormulaC18H17F3N4O4S
Molecular Weight442.42 g/mol
Exact Mass442.09
IUPAC Name5-methyl-7-oxo-3-phenyl-N-propylsulfonyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCCS(=O)(=O)NC(=O)c1c(C)nc2c(-c3ccccc3)c(C(F)(F)F)[nH]n2c1=O
InChIInChI=1S/C18H17F3N4O4S/c1-3-9-30(28,29)24-16(26)12-10(2)22-15-13(11-7-5-4-6-8-11)14(18(19,20)21)23-25(15)17(12)27/h4-8,23H,3,9H2,1-2H3,(H,24,26)
InChIKeyAOSGBZVQFMYFAK-UHFFFAOYSA-N
XLogP2.49
TPSA113.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.42
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-oxo-3-phenyl-N-propylsulfonyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 5-methyl-7-oxo-3-phenyl-N-propylsulfonyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 138557531) is 5-methyl-7-oxo-3-phenyl-N-propylsulfonyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-methyl-7-oxo-3-phenyl-N-propylsulfonyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 5-methyl-7-oxo-3-phenyl-N-propylsulfonyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide is CCCS(=O)(=O)NC(=O)c1c(C)nc2c(-c3ccccc3)c(C(F)(F)F)[nH]n2c1=O.
What is the InChIKey of 5-methyl-7-oxo-3-phenyl-N-propylsulfonyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is AOSGBZVQFMYFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O4S/c1-3-9-30(28,29)24-16(26)12-10(2)22-15-13(11-7-5-4-6-8-11)14(18(19,20)21)23-25(15)17(12)27/h4-8,23H,3,9H2,1-2H3,(H,24,26).
What are the key properties of 5-methyl-7-oxo-3-phenyl-N-propylsulfonyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide?
5-methyl-7-oxo-3-phenyl-N-propylsulfonyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 442.42 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-oxo-3-phenyl-N-propylsulfonyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 138557531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).