6-chloro-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C8H8ClN3O — CID 1485023

IUPAC6-chloro-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc2nc(C)c(Cl)c(=O)n2[nH]1
InChIInChI=1S/C8H8ClN3O/c1-4-3-6-10-5(2)7(9)8(13)12(6)11-4/h3,11H,1-2H3
InChIKeyDOJNHLCHSRDQFK-UHFFFAOYSA-N
MW197.62 g/mol
LogP1.29
Rot. Bonds

About 6-chloro-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

6-chloro-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 1485023) has the molecular formula C8H8ClN3O and a molecular weight of 197.62 g/mol. Its IUPAC name is 6-chloro-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-chloro-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID1485023
Molecular FormulaC8H8ClN3O
Molecular Weight197.62 g/mol
Exact Mass197.04
IUPAC Name6-chloro-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc2nc(C)c(Cl)c(=O)n2[nH]1
InChIInChI=1S/C8H8ClN3O/c1-4-3-6-10-5(2)7(9)8(13)12(6)11-4/h3,11H,1-2H3
InChIKeyDOJNHLCHSRDQFK-UHFFFAOYSA-N
XLogP1.29
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.62
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-chloro-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 1485023) is 6-chloro-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-chloro-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-chloro-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1cc2nc(C)c(Cl)c(=O)n2[nH]1.
What is the InChIKey of 6-chloro-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is DOJNHLCHSRDQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3O/c1-4-3-6-10-5(2)7(9)8(13)12(6)11-4/h3,11H,1-2H3.
What are the key properties of 6-chloro-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
6-chloro-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 197.62 g/mol, XLogP of 1.29, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 1485023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).