5-[[methyl-[(1S,2R)-2-methylsulfanylcyclopentyl]amino]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

C14H20N4OS — CID 98775404

IUPAC5-[[methyl-[(1S,2R)-2-methylsulfanylcyclopentyl]amino]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCS[C@@H]1CCC[C@@H]1N(C)Cc1cc(=O)n2[nH]ccc2n1
InChIInChI=1S/C14H20N4OS/c1-17(11-4-3-5-12(11)20-2)9-10-8-14(19)18-13(16-10)6-7-15-18/h6-8,11-12,15H,3-5,9H2,1-2H3/t11-,12+/m0/s1
InChIKeyIEUCFVAGNGKQGC-NWDGAFQWSA-N
MW292.41 g/mol
LogP1.74
Rot. Bonds4

About 5-[[methyl-[(1S,2R)-2-methylsulfanylcyclopentyl]amino]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-[[methyl-[(1S,2R)-2-methylsulfanylcyclopentyl]amino]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 98775404) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 5-[[methyl-[(1S,2R)-2-methylsulfanylcyclopentyl]amino]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[[methyl-[(1S,2R)-2-methylsulfanylcyclopentyl]amino]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID98775404
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name5-[[methyl-[(1S,2R)-2-methylsulfanylcyclopentyl]amino]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCS[C@@H]1CCC[C@@H]1N(C)Cc1cc(=O)n2[nH]ccc2n1
InChIInChI=1S/C14H20N4OS/c1-17(11-4-3-5-12(11)20-2)9-10-8-14(19)18-13(16-10)6-7-15-18/h6-8,11-12,15H,3-5,9H2,1-2H3/t11-,12+/m0/s1
InChIKeyIEUCFVAGNGKQGC-NWDGAFQWSA-N
XLogP1.74
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[methyl-[(1S,2R)-2-methylsulfanylcyclopentyl]amino]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[[methyl-[(1S,2R)-2-methylsulfanylcyclopentyl]amino]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 98775404) is 5-[[methyl-[(1S,2R)-2-methylsulfanylcyclopentyl]amino]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[[methyl-[(1S,2R)-2-methylsulfanylcyclopentyl]amino]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[[methyl-[(1S,2R)-2-methylsulfanylcyclopentyl]amino]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is CS[C@@H]1CCC[C@@H]1N(C)Cc1cc(=O)n2[nH]ccc2n1.
What is the InChIKey of 5-[[methyl-[(1S,2R)-2-methylsulfanylcyclopentyl]amino]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is IEUCFVAGNGKQGC-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-17(11-4-3-5-12(11)20-2)9-10-8-14(19)18-13(16-10)6-7-15-18/h6-8,11-12,15H,3-5,9H2,1-2H3/t11-,12+/m0/s1.
What are the key properties of 5-[[methyl-[(1S,2R)-2-methylsulfanylcyclopentyl]amino]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-[[methyl-[(1S,2R)-2-methylsulfanylcyclopentyl]amino]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 292.41 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[methyl-[(1S,2R)-2-methylsulfanylcyclopentyl]amino]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 98775404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).