4-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-one

C9H11N3O — CID 177158433

IUPAC4-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-one
SMILESCC(C)n1c(=O)ccn2nccc12
InChIInChI=1S/C9H11N3O/c1-7(2)12-8-3-5-10-11(8)6-4-9(12)13/h3-7H,1-2H3
InChIKeyVJGZKLBZCREYIG-UHFFFAOYSA-N
MW177.21 g/mol
LogP1.08
Rot. Bonds1

About 4-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-one

4-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 177158433) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 4-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name4-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-one
PubChem CID177158433
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name4-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-one
SMILESCC(C)n1c(=O)ccn2nccc12
InChIInChI=1S/C9H11N3O/c1-7(2)12-8-3-5-10-11(8)6-4-9(12)13/h3-7H,1-2H3
InChIKeyVJGZKLBZCREYIG-UHFFFAOYSA-N
XLogP1.08
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 4-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-one (CID 177158433) is 4-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 4-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 4-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-one is CC(C)n1c(=O)ccn2nccc12.
What is the InChIKey of 4-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is VJGZKLBZCREYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-7(2)12-8-3-5-10-11(8)6-4-9(12)13/h3-7H,1-2H3.
What are the key properties of 4-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-one?
4-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 177.21 g/mol, XLogP of 1.08, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 177158433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).