3-(benzenesulfonyl)-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

C19H11F4N3O2S — CID 1485561

IUPAC3-(benzenesulfonyl)-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESO=S(=O)(c1ccccc1)c1cnn2c(C(F)(F)F)cc(-c3ccc(F)cc3)nc12
InChIInChI=1S/C19H11F4N3O2S/c20-13-8-6-12(7-9-13)15-10-17(19(21,22)23)26-18(25-15)16(11-24-26)29(27,28)14-4-2-1-3-5-14/h1-11H
InChIKeyHDESNHOZWUYACY-UHFFFAOYSA-N
MW421.38 g/mol
LogP4.39
Rot. Bonds3

About 3-(benzenesulfonyl)-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

3-(benzenesulfonyl)-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 1485561) has the molecular formula C19H11F4N3O2S and a molecular weight of 421.38 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-(benzenesulfonyl)-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID1485561
Molecular FormulaC19H11F4N3O2S
Molecular Weight421.38 g/mol
Exact Mass421.05
IUPAC Name3-(benzenesulfonyl)-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESO=S(=O)(c1ccccc1)c1cnn2c(C(F)(F)F)cc(-c3ccc(F)cc3)nc12
InChIInChI=1S/C19H11F4N3O2S/c20-13-8-6-12(7-9-13)15-10-17(19(21,22)23)26-18(25-15)16(11-24-26)29(27,28)14-4-2-1-3-5-14/h1-11H
InChIKeyHDESNHOZWUYACY-UHFFFAOYSA-N
XLogP4.39
TPSA64.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.38
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(benzenesulfonyl)-N-methyl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazolin-2-amine
CID 44156754
N-Methyl-3-(phenylsulfonyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-2-amine
CID 46867519
2-(Methylthio)-3-(phenylsulfonyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline
CID 44155107
2-(methylthio)-3-(phenylsulfonyl)-7,8-dihydro-6H-cyclopenta[e]pyrazolo[1,5-a]pyrimidine
CID 44156863
10-(Benzenesulfonyl)-2-piperazin-1-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene
CID 46889472
5,7-Dimethyl-3-(phenylsulfonyl)pyrazolo[1,5-a]pyrimidine
CID 1472656
Ro4988546
CID 73755205
5-(3-Cyclopropylsulfonylphenyl)-3-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine
CID 122193263
3-(Benzenesulfonyl)-5,6,7-trimethylpyrazolo[1,5-a]pyrimidine
CID 1480628
7-Ethylsulfanyl-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine
CID 1988312
3-(benzenesulfonyl)-N,N-dimethyl-7,8-dihydro-6H-cyclopenta[e]pyrazolo[1,5-a]pyrimidin-2-amine
CID 46867523
5-Methanesulfonyl-2-(5-phenyl-3-trifluoromethyl-pyrazol-1-yl)-pyridine
CID 9947370

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-(benzenesulfonyl)-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 1485561) is 3-(benzenesulfonyl)-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-(benzenesulfonyl)-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(benzenesulfonyl)-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is O=S(=O)(c1ccccc1)c1cnn2c(C(F)(F)F)cc(-c3ccc(F)cc3)nc12.
What is the InChIKey of 3-(benzenesulfonyl)-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is HDESNHOZWUYACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F4N3O2S/c20-13-8-6-12(7-9-13)15-10-17(19(21,22)23)26-18(25-15)16(11-24-26)29(27,28)14-4-2-1-3-5-14/h1-11H.
What are the key properties of 3-(benzenesulfonyl)-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
3-(benzenesulfonyl)-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 421.38 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 1485561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).