6-[2-methoxy-4-(trifluoromethyl)phenyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-sulfonamide

C15H13F3N4O3S — CID 167941643

IUPAC6-[2-methoxy-4-(trifluoromethyl)phenyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-sulfonamide
SMILESCOc1cc(C(F)(F)F)ccc1-c1cnc2c(S(N)(=O)=O)c(C)nn2c1
InChIInChI=1S/C15H13F3N4O3S/c1-8-13(26(19,23)24)14-20-6-9(7-22(14)21-8)11-4-3-10(15(16,17)18)5-12(11)25-2/h3-7H,1-2H3,(H2,19,23,24)
InChIKeyRJFCPFXHEMFPIP-UHFFFAOYSA-N
MW386.36 g/mol
LogP2.38
Rot. Bonds3

About 6-[2-methoxy-4-(trifluoromethyl)phenyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-sulfonamide

6-[2-methoxy-4-(trifluoromethyl)phenyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-sulfonamide (PubChem CID 167941643) has the molecular formula C15H13F3N4O3S and a molecular weight of 386.36 g/mol. Its IUPAC name is 6-[2-methoxy-4-(trifluoromethyl)phenyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-sulfonamide.

Molecular Properties

Compound Name6-[2-methoxy-4-(trifluoromethyl)phenyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-sulfonamide
PubChem CID167941643
Molecular FormulaC15H13F3N4O3S
Molecular Weight386.36 g/mol
Exact Mass386.07
IUPAC Name6-[2-methoxy-4-(trifluoromethyl)phenyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-sulfonamide
SMILESCOc1cc(C(F)(F)F)ccc1-c1cnc2c(S(N)(=O)=O)c(C)nn2c1
InChIInChI=1S/C15H13F3N4O3S/c1-8-13(26(19,23)24)14-20-6-9(7-22(14)21-8)11-4-3-10(15(16,17)18)5-12(11)25-2/h3-7H,1-2H3,(H2,19,23,24)
InChIKeyRJFCPFXHEMFPIP-UHFFFAOYSA-N
XLogP2.38
TPSA99.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-methoxy-4-(trifluoromethyl)phenyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-sulfonamide?
The IUPAC name of 6-[2-methoxy-4-(trifluoromethyl)phenyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-sulfonamide (CID 167941643) is 6-[2-methoxy-4-(trifluoromethyl)phenyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-sulfonamide.
What is the SMILES notation for 6-[2-methoxy-4-(trifluoromethyl)phenyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-sulfonamide?
The canonical SMILES for 6-[2-methoxy-4-(trifluoromethyl)phenyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-sulfonamide is COc1cc(C(F)(F)F)ccc1-c1cnc2c(S(N)(=O)=O)c(C)nn2c1.
What is the InChIKey of 6-[2-methoxy-4-(trifluoromethyl)phenyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-sulfonamide?
The InChIKey is RJFCPFXHEMFPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4O3S/c1-8-13(26(19,23)24)14-20-6-9(7-22(14)21-8)11-4-3-10(15(16,17)18)5-12(11)25-2/h3-7H,1-2H3,(H2,19,23,24).
What are the key properties of 6-[2-methoxy-4-(trifluoromethyl)phenyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-sulfonamide?
6-[2-methoxy-4-(trifluoromethyl)phenyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-sulfonamide has a molecular weight of 386.36 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-methoxy-4-(trifluoromethyl)phenyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-sulfonamide is sourced from PubChem (CID 167941643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).