3-phenylsulfanyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine

C16H17N5S — CID 71058358

IUPAC3-phenylsulfanyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESNc1cc(N2CCCC2)nc2c(Sc3ccccc3)cnn12
InChIInChI=1S/C16H17N5S/c17-14-10-15(20-8-4-5-9-20)19-16-13(11-18-21(14)16)22-12-6-2-1-3-7-12/h1-3,6-7,10-11H,4-5,8-9,17H2
InChIKeyFSZQWSQKPODMDX-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.06
Rot. Bonds3

About 3-phenylsulfanyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine

3-phenylsulfanyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 71058358) has the molecular formula C16H17N5S and a molecular weight of 311.41 g/mol. Its IUPAC name is 3-phenylsulfanyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-phenylsulfanyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID71058358
Molecular FormulaC16H17N5S
Molecular Weight311.41 g/mol
Exact Mass311.12
IUPAC Name3-phenylsulfanyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESNc1cc(N2CCCC2)nc2c(Sc3ccccc3)cnn12
InChIInChI=1S/C16H17N5S/c17-14-10-15(20-8-4-5-9-20)19-16-13(11-18-21(14)16)22-12-6-2-1-3-7-12/h1-3,6-7,10-11H,4-5,8-9,17H2
InChIKeyFSZQWSQKPODMDX-UHFFFAOYSA-N
XLogP3.06
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(Methylsulfonyl)-3-(phenylsulfonyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 1480583
2-Methyl-6-(phenylsulfonyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 1480611
3-(benzenesulfonyl)-N-methylpyrazolo[1,5-a]pyrimidin-2-amine
CID 53319628
N-{3-[(4-Fluorophenyl)sulfonyl]pyrazolo[1,5-A]pyrimidin-2-YL}-N-methylamine
CID 53323601
N-Methyl-N-[5-methyl-3-(phenylsulfonyl)pyrazolo[1,5-A]pyrimidin-2-YL]amine
CID 53324896
6-(Tert-butylsulfonyl)-3-(phenylsulfonyl)pyrazolo[1,5-a]pyrimidin-7-ylamine
CID 1480584
12H-1,2,4-Triazolo(4',3':1,6)pyridazino(4,5-b)(1,4)benzothiazine, 3-(1-pyrrolidinylmethyl)-
CID 135906662
5-Thiophen-2-yl-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine
CID 14685636
(R)-8-(8-(phenylthio)-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-1-amine
CID 139427717
CID 134797610
CID 134797610
3-Phenylsulfonylpyrazolo[1,5-a]pyrimidine
CID 129869625
3-(3-fluorophenyl)sulfonyl-N-methylpyrazolo[1,5-a]pyrimidin-2-amine
CID 58357682

Frequently Asked Questions

What is the IUPAC name of 3-phenylsulfanyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-phenylsulfanyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 71058358) is 3-phenylsulfanyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-phenylsulfanyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-phenylsulfanyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine is Nc1cc(N2CCCC2)nc2c(Sc3ccccc3)cnn12.
What is the InChIKey of 3-phenylsulfanyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is FSZQWSQKPODMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5S/c17-14-10-15(20-8-4-5-9-20)19-16-13(11-18-21(14)16)22-12-6-2-1-3-7-12/h1-3,6-7,10-11H,4-5,8-9,17H2.
What are the key properties of 3-phenylsulfanyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine?
3-phenylsulfanyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 311.41 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylsulfanyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 71058358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).