6-(benzenesulfonyl)-3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine

C18H13FN4O2S — CID 1477934

IUPAC6-(benzenesulfonyl)-3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESNc1c(S(=O)(=O)c2ccccc2)cnc2c(-c3ccc(F)cc3)cnn12
InChIInChI=1S/C18H13FN4O2S/c19-13-8-6-12(7-9-13)15-10-22-23-17(20)16(11-21-18(15)23)26(24,25)14-4-2-1-3-5-14/h1-11H,20H2
InChIKeyUCRCRNMAFUPPNK-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.95
Rot. Bonds3

About 6-(benzenesulfonyl)-3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine

6-(benzenesulfonyl)-3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 1477934) has the molecular formula C18H13FN4O2S and a molecular weight of 368.39 g/mol. Its IUPAC name is 6-(benzenesulfonyl)-3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-(benzenesulfonyl)-3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID1477934
Molecular FormulaC18H13FN4O2S
Molecular Weight368.39 g/mol
Exact Mass368.07
IUPAC Name6-(benzenesulfonyl)-3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESNc1c(S(=O)(=O)c2ccccc2)cnc2c(-c3ccc(F)cc3)cnn12
InChIInChI=1S/C18H13FN4O2S/c19-13-8-6-12(7-9-13)15-10-22-23-17(20)16(11-21-18(15)23)26(24,25)14-4-2-1-3-5-14/h1-11H,20H2
InChIKeyUCRCRNMAFUPPNK-UHFFFAOYSA-N
XLogP2.95
TPSA90.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(benzenesulfonyl)-3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-(benzenesulfonyl)-3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 1477934) is 6-(benzenesulfonyl)-3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-(benzenesulfonyl)-3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-(benzenesulfonyl)-3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine is Nc1c(S(=O)(=O)c2ccccc2)cnc2c(-c3ccc(F)cc3)cnn12.
What is the InChIKey of 6-(benzenesulfonyl)-3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is UCRCRNMAFUPPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4O2S/c19-13-8-6-12(7-9-13)15-10-22-23-17(20)16(11-21-18(15)23)26(24,25)14-4-2-1-3-5-14/h1-11H,20H2.
What are the key properties of 6-(benzenesulfonyl)-3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
6-(benzenesulfonyl)-3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 368.39 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzenesulfonyl)-3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 1477934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).