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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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).