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

C6H4ClN3O — CID 13465974

IUPAC5-chloro-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(Cl)nc2cc[nH]n12
InChIInChI=1S/C6H4ClN3O/c7-4-3-6(11)10-5(9-4)1-2-8-10/h1-3,8H
InChIKeyIYNABQNUIXYONK-UHFFFAOYSA-N
MW169.57 g/mol
LogP0.68
Rot. Bonds

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

5-chloro-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 13465974) has the molecular formula C6H4ClN3O and a molecular weight of 169.57 g/mol. Its IUPAC name is 5-chloro-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-chloro-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID13465974
Molecular FormulaC6H4ClN3O
Molecular Weight169.57 g/mol
Exact Mass169.00
IUPAC Name5-chloro-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(Cl)nc2cc[nH]n12
InChIInChI=1S/C6H4ClN3O/c7-4-3-6(11)10-5(9-4)1-2-8-10/h1-3,8H
InChIKeyIYNABQNUIXYONK-UHFFFAOYSA-N
XLogP0.68
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.57
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-chloro-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 13465974) is 5-chloro-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-chloro-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-chloro-1H-pyrazolo[1,5-a]pyrimidin-7-one is O=c1cc(Cl)nc2cc[nH]n12.
What is the InChIKey of 5-chloro-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is IYNABQNUIXYONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClN3O/c7-4-3-6(11)10-5(9-4)1-2-8-10/h1-3,8H.
What are the key properties of 5-chloro-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-chloro-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 169.57 g/mol, XLogP of 0.68, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 13465974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).