2,3-dihydro-1H-pyrazolo[1,5-a]pyrimidin-7-one

C6H7N3O — CID 141219298

IUPAC2,3-dihydro-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1ccnc2n1NCC2
InChIInChI=1S/C6H7N3O/c10-6-2-3-7-5-1-4-8-9(5)6/h2-3,8H,1,4H2
InChIKeyWXIBKTYFPOYGRP-UHFFFAOYSA-N
MW137.14 g/mol
LogP-0.66
Rot. Bonds

About 2,3-dihydro-1H-pyrazolo[1,5-a]pyrimidin-7-one

2,3-dihydro-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 141219298) has the molecular formula C6H7N3O and a molecular weight of 137.14 g/mol. Its IUPAC name is 2,3-dihydro-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2,3-dihydro-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID141219298
Molecular FormulaC6H7N3O
Molecular Weight137.14 g/mol
Exact Mass137.06
IUPAC Name2,3-dihydro-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1ccnc2n1NCC2
InChIInChI=1S/C6H7N3O/c10-6-2-3-7-5-1-4-8-9(5)6/h2-3,8H,1,4H2
InChIKeyWXIBKTYFPOYGRP-UHFFFAOYSA-N
XLogP-0.66
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.14
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2,3-dihydro-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 141219298) is 2,3-dihydro-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2,3-dihydro-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2,3-dihydro-1H-pyrazolo[1,5-a]pyrimidin-7-one is O=c1ccnc2n1NCC2.
What is the InChIKey of 2,3-dihydro-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is WXIBKTYFPOYGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O/c10-6-2-3-7-5-1-4-8-9(5)6/h2-3,8H,1,4H2.
What are the key properties of 2,3-dihydro-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2,3-dihydro-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 137.14 g/mol, XLogP of -0.66, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 141219298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).