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

C20H14F3N3O3S — CID 1480646

IUPAC3-(benzenesulfonyl)-5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1cccc(-c2cc(C(F)(F)F)n3ncc(S(=O)(=O)c4ccccc4)c3n2)c1
InChIInChI=1S/C20H14F3N3O3S/c1-29-14-7-5-6-13(10-14)16-11-18(20(21,22)23)26-19(25-16)17(12-24-26)30(27,28)15-8-3-2-4-9-15/h2-12H,1H3
InChIKeyBYIOHCMQONTNDU-UHFFFAOYSA-N
MW433.41 g/mol
LogP4.26
Rot. Bonds4

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

3-(benzenesulfonyl)-5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 1480646) has the molecular formula C20H14F3N3O3S and a molecular weight of 433.41 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-(benzenesulfonyl)-5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID1480646
Molecular FormulaC20H14F3N3O3S
Molecular Weight433.41 g/mol
Exact Mass433.07
IUPAC Name3-(benzenesulfonyl)-5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1cccc(-c2cc(C(F)(F)F)n3ncc(S(=O)(=O)c4ccccc4)c3n2)c1
InChIInChI=1S/C20H14F3N3O3S/c1-29-14-7-5-6-13(10-14)16-11-18(20(21,22)23)26-19(25-16)17(12-24-26)30(27,28)15-8-3-2-4-9-15/h2-12H,1H3
InChIKeyBYIOHCMQONTNDU-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-(benzenesulfonyl)-5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 1480646) is 3-(benzenesulfonyl)-5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-(benzenesulfonyl)-5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(benzenesulfonyl)-5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is COc1cccc(-c2cc(C(F)(F)F)n3ncc(S(=O)(=O)c4ccccc4)c3n2)c1.
What is the InChIKey of 3-(benzenesulfonyl)-5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is BYIOHCMQONTNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N3O3S/c1-29-14-7-5-6-13(10-14)16-11-18(20(21,22)23)26-19(25-16)17(12-24-26)30(27,28)15-8-3-2-4-9-15/h2-12H,1H3.
What are the key properties of 3-(benzenesulfonyl)-5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
3-(benzenesulfonyl)-5-(3-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-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 1480646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).