2-cyclopentyl-7-methylsulfanyl-4-propylpyrazolo[4,3-d]pyrimidin-5-one

C14H20N4OS — CID 23113313

IUPAC2-cyclopentyl-7-methylsulfanyl-4-propylpyrazolo[4,3-d]pyrimidin-5-one
SMILESCCCn1c(=O)nc(SC)c2nn(C3CCCC3)cc21
InChIInChI=1S/C14H20N4OS/c1-3-8-17-11-9-18(10-6-4-5-7-10)16-12(11)13(20-2)15-14(17)19/h9-10H,3-8H2,1-2H3
InChIKeyWADHXSGTVILURV-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.84
Rot. Bonds4

About 2-cyclopentyl-7-methylsulfanyl-4-propylpyrazolo[4,3-d]pyrimidin-5-one

2-cyclopentyl-7-methylsulfanyl-4-propylpyrazolo[4,3-d]pyrimidin-5-one (PubChem CID 23113313) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 2-cyclopentyl-7-methylsulfanyl-4-propylpyrazolo[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-cyclopentyl-7-methylsulfanyl-4-propylpyrazolo[4,3-d]pyrimidin-5-one
PubChem CID23113313
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name2-cyclopentyl-7-methylsulfanyl-4-propylpyrazolo[4,3-d]pyrimidin-5-one
SMILESCCCn1c(=O)nc(SC)c2nn(C3CCCC3)cc21
InChIInChI=1S/C14H20N4OS/c1-3-8-17-11-9-18(10-6-4-5-7-10)16-12(11)13(20-2)15-14(17)19/h9-10H,3-8H2,1-2H3
InChIKeyWADHXSGTVILURV-UHFFFAOYSA-N
XLogP2.84
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-7-methylsulfanyl-4-propylpyrazolo[4,3-d]pyrimidin-5-one?
The IUPAC name of 2-cyclopentyl-7-methylsulfanyl-4-propylpyrazolo[4,3-d]pyrimidin-5-one (CID 23113313) is 2-cyclopentyl-7-methylsulfanyl-4-propylpyrazolo[4,3-d]pyrimidin-5-one.
What is the SMILES notation for 2-cyclopentyl-7-methylsulfanyl-4-propylpyrazolo[4,3-d]pyrimidin-5-one?
The canonical SMILES for 2-cyclopentyl-7-methylsulfanyl-4-propylpyrazolo[4,3-d]pyrimidin-5-one is CCCn1c(=O)nc(SC)c2nn(C3CCCC3)cc21.
What is the InChIKey of 2-cyclopentyl-7-methylsulfanyl-4-propylpyrazolo[4,3-d]pyrimidin-5-one?
The InChIKey is WADHXSGTVILURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-3-8-17-11-9-18(10-6-4-5-7-10)16-12(11)13(20-2)15-14(17)19/h9-10H,3-8H2,1-2H3.
What are the key properties of 2-cyclopentyl-7-methylsulfanyl-4-propylpyrazolo[4,3-d]pyrimidin-5-one?
2-cyclopentyl-7-methylsulfanyl-4-propylpyrazolo[4,3-d]pyrimidin-5-one has a molecular weight of 292.41 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-7-methylsulfanyl-4-propylpyrazolo[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 23113313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).