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

C18H23N5S — CID 143440247

IUPACethane;3-phenylsulfanyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC.Nc1cc(N2CCCC2)nc2c(Sc3ccccc3)cnn12
InChIInChI=1S/C16H17N5S.C2H6/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;1-2/h1-3,6-7,10-11H,4-5,8-9,17H2;1-2H3
InChIKeyUESRKGXZKQQPOJ-UHFFFAOYSA-N
MW341.48 g/mol
LogP4.09
Rot. Bonds3

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

ethane;3-phenylsulfanyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 143440247) has the molecular formula C18H23N5S and a molecular weight of 341.48 g/mol. Its IUPAC name is ethane;3-phenylsulfanyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Nameethane;3-phenylsulfanyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID143440247
Molecular FormulaC18H23N5S
Molecular Weight341.48 g/mol
Exact Mass341.17
IUPAC Nameethane;3-phenylsulfanyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC.Nc1cc(N2CCCC2)nc2c(Sc3ccccc3)cnn12
InChIInChI=1S/C16H17N5S.C2H6/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;1-2/h1-3,6-7,10-11H,4-5,8-9,17H2;1-2H3
InChIKeyUESRKGXZKQQPOJ-UHFFFAOYSA-N
XLogP4.09
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethane;3-phenylsulfanyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of ethane;3-phenylsulfanyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 143440247) is ethane;3-phenylsulfanyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for ethane;3-phenylsulfanyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for ethane;3-phenylsulfanyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine is CC.Nc1cc(N2CCCC2)nc2c(Sc3ccccc3)cnn12.
What is the InChIKey of ethane;3-phenylsulfanyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is UESRKGXZKQQPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5S.C2H6/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;1-2/h1-3,6-7,10-11H,4-5,8-9,17H2;1-2H3.
What are the key properties of ethane;3-phenylsulfanyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine?
ethane;3-phenylsulfanyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 341.48 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-phenylsulfanyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 143440247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).