6-cyclopentyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C12H15N3O — CID 82273624

IUPAC6-cyclopentyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2cc[nH]n2c(=O)c1C1CCCC1
InChIInChI=1S/C12H15N3O/c1-8-11(9-4-2-3-5-9)12(16)15-10(14-8)6-7-13-15/h6-7,9,13H,2-5H2,1H3
InChIKeyJXEFJZNFIJTXDY-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.99
Rot. Bonds1

About 6-cyclopentyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

6-cyclopentyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 82273624) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 6-cyclopentyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-cyclopentyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID82273624
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name6-cyclopentyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2cc[nH]n2c(=O)c1C1CCCC1
InChIInChI=1S/C12H15N3O/c1-8-11(9-4-2-3-5-9)12(16)15-10(14-8)6-7-13-15/h6-7,9,13H,2-5H2,1H3
InChIKeyJXEFJZNFIJTXDY-UHFFFAOYSA-N
XLogP1.99
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-cyclopentyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 82273624) is 6-cyclopentyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-cyclopentyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-cyclopentyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1nc2cc[nH]n2c(=O)c1C1CCCC1.
What is the InChIKey of 6-cyclopentyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is JXEFJZNFIJTXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-8-11(9-4-2-3-5-9)12(16)15-10(14-8)6-7-13-15/h6-7,9,13H,2-5H2,1H3.
What are the key properties of 6-cyclopentyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
6-cyclopentyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 217.27 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 82273624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).