3-(benzenesulfinyl)-N-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-2-amine

C19H16N4OS — CID 130451849

IUPAC3-(benzenesulfinyl)-N-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-2-amine
SMILESCNc1nn2ccc(-c3ccccc3)nc2c1S(=O)c1ccccc1
InChIInChI=1S/C19H16N4OS/c1-20-18-17(25(24)15-10-6-3-7-11-15)19-21-16(12-13-23(19)22-18)14-8-4-2-5-9-14/h2-13H,1H3,(H,20,22)
InChIKeyFHASKPCBGAKNTQ-UHFFFAOYSA-N
MW348.43 g/mol
LogP3.60
Rot. Bonds4

About 3-(benzenesulfinyl)-N-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-2-amine

3-(benzenesulfinyl)-N-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-2-amine (PubChem CID 130451849) has the molecular formula C19H16N4OS and a molecular weight of 348.43 g/mol. Its IUPAC name is 3-(benzenesulfinyl)-N-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name3-(benzenesulfinyl)-N-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-2-amine
PubChem CID130451849
Molecular FormulaC19H16N4OS
Molecular Weight348.43 g/mol
Exact Mass348.10
IUPAC Name3-(benzenesulfinyl)-N-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-2-amine
SMILESCNc1nn2ccc(-c3ccccc3)nc2c1S(=O)c1ccccc1
InChIInChI=1S/C19H16N4OS/c1-20-18-17(25(24)15-10-6-3-7-11-15)19-21-16(12-13-23(19)22-18)14-8-4-2-5-9-14/h2-13H,1H3,(H,20,22)
InChIKeyFHASKPCBGAKNTQ-UHFFFAOYSA-N
XLogP3.60
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfinyl)-N-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 3-(benzenesulfinyl)-N-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-2-amine (CID 130451849) is 3-(benzenesulfinyl)-N-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 3-(benzenesulfinyl)-N-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 3-(benzenesulfinyl)-N-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-2-amine is CNc1nn2ccc(-c3ccccc3)nc2c1S(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfinyl)-N-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is FHASKPCBGAKNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS/c1-20-18-17(25(24)15-10-6-3-7-11-15)19-21-16(12-13-23(19)22-18)14-8-4-2-5-9-14/h2-13H,1H3,(H,20,22).
What are the key properties of 3-(benzenesulfinyl)-N-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-2-amine?
3-(benzenesulfinyl)-N-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 348.43 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfinyl)-N-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 130451849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).