3-(benzenesulfonyl)-5-(2-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

C20H14F3N3O3S — CID 1480594

IUPAC3-(benzenesulfonyl)-5-(2-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1ccccc1-c1cc(C(F)(F)F)n2ncc(S(=O)(=O)c3ccccc3)c2n1
InChIInChI=1S/C20H14F3N3O3S/c1-29-16-10-6-5-9-14(16)15-11-18(20(21,22)23)26-19(25-15)17(12-24-26)30(27,28)13-7-3-2-4-8-13/h2-12H,1H3
InChIKeyIPTZCORSFJEPFP-UHFFFAOYSA-N
MW433.41 g/mol
LogP4.26
Rot. Bonds4

About 3-(benzenesulfonyl)-5-(2-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

3-(benzenesulfonyl)-5-(2-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 1480594) has the molecular formula C20H14F3N3O3S and a molecular weight of 433.41 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-5-(2-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-(benzenesulfonyl)-5-(2-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID1480594
Molecular FormulaC20H14F3N3O3S
Molecular Weight433.41 g/mol
Exact Mass433.07
IUPAC Name3-(benzenesulfonyl)-5-(2-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1ccccc1-c1cc(C(F)(F)F)n2ncc(S(=O)(=O)c3ccccc3)c2n1
InChIInChI=1S/C20H14F3N3O3S/c1-29-16-10-6-5-9-14(16)15-11-18(20(21,22)23)26-19(25-15)17(12-24-26)30(27,28)13-7-3-2-4-8-13/h2-12H,1H3
InChIKeyIPTZCORSFJEPFP-UHFFFAOYSA-N
XLogP4.26
TPSA73.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.41
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-5-(2-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-(benzenesulfonyl)-5-(2-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 1480594) is 3-(benzenesulfonyl)-5-(2-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-(benzenesulfonyl)-5-(2-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(benzenesulfonyl)-5-(2-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is COc1ccccc1-c1cc(C(F)(F)F)n2ncc(S(=O)(=O)c3ccccc3)c2n1.
What is the InChIKey of 3-(benzenesulfonyl)-5-(2-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is IPTZCORSFJEPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N3O3S/c1-29-16-10-6-5-9-14(16)15-11-18(20(21,22)23)26-19(25-15)17(12-24-26)30(27,28)13-7-3-2-4-8-13/h2-12H,1H3.
What are the key properties of 3-(benzenesulfonyl)-5-(2-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
3-(benzenesulfonyl)-5-(2-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 433.41 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-5-(2-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 1480594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).