6-chloro-3-cyclopentyl-5-methyl-2H-pyrazolo[4,3-d]pyrimidin-7-one

C11H13ClN4O — CID 91199285

IUPAC6-chloro-3-cyclopentyl-5-methyl-2H-pyrazolo[4,3-d]pyrimidin-7-one
SMILESCc1nc2c(C3CCCC3)[nH]nc2c(=O)n1Cl
InChIInChI=1S/C11H13ClN4O/c1-6-13-9-8(7-4-2-3-5-7)14-15-10(9)11(17)16(6)12/h7H,2-5H2,1H3,(H,14,15)
InChIKeyBZKCWVKFAGNUJH-UHFFFAOYSA-N
MW252.70 g/mol
LogP2.09
Rot. Bonds1

About 6-chloro-3-cyclopentyl-5-methyl-2H-pyrazolo[4,3-d]pyrimidin-7-one

6-chloro-3-cyclopentyl-5-methyl-2H-pyrazolo[4,3-d]pyrimidin-7-one (PubChem CID 91199285) has the molecular formula C11H13ClN4O and a molecular weight of 252.70 g/mol. Its IUPAC name is 6-chloro-3-cyclopentyl-5-methyl-2H-pyrazolo[4,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-chloro-3-cyclopentyl-5-methyl-2H-pyrazolo[4,3-d]pyrimidin-7-one
PubChem CID91199285
Molecular FormulaC11H13ClN4O
Molecular Weight252.70 g/mol
Exact Mass252.08
IUPAC Name6-chloro-3-cyclopentyl-5-methyl-2H-pyrazolo[4,3-d]pyrimidin-7-one
SMILESCc1nc2c(C3CCCC3)[nH]nc2c(=O)n1Cl
InChIInChI=1S/C11H13ClN4O/c1-6-13-9-8(7-4-2-3-5-7)14-15-10(9)11(17)16(6)12/h7H,2-5H2,1H3,(H,14,15)
InChIKeyBZKCWVKFAGNUJH-UHFFFAOYSA-N
XLogP2.09
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-cyclopentyl-5-methyl-2H-pyrazolo[4,3-d]pyrimidin-7-one?
The IUPAC name of 6-chloro-3-cyclopentyl-5-methyl-2H-pyrazolo[4,3-d]pyrimidin-7-one (CID 91199285) is 6-chloro-3-cyclopentyl-5-methyl-2H-pyrazolo[4,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-chloro-3-cyclopentyl-5-methyl-2H-pyrazolo[4,3-d]pyrimidin-7-one?
The canonical SMILES for 6-chloro-3-cyclopentyl-5-methyl-2H-pyrazolo[4,3-d]pyrimidin-7-one is Cc1nc2c(C3CCCC3)[nH]nc2c(=O)n1Cl.
What is the InChIKey of 6-chloro-3-cyclopentyl-5-methyl-2H-pyrazolo[4,3-d]pyrimidin-7-one?
The InChIKey is BZKCWVKFAGNUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O/c1-6-13-9-8(7-4-2-3-5-7)14-15-10(9)11(17)16(6)12/h7H,2-5H2,1H3,(H,14,15).
What are the key properties of 6-chloro-3-cyclopentyl-5-methyl-2H-pyrazolo[4,3-d]pyrimidin-7-one?
6-chloro-3-cyclopentyl-5-methyl-2H-pyrazolo[4,3-d]pyrimidin-7-one has a molecular weight of 252.70 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-cyclopentyl-5-methyl-2H-pyrazolo[4,3-d]pyrimidin-7-one is sourced from PubChem (CID 91199285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).