4-prop-2-ynylpyrazolo[1,5-a]pyrimidin-7-one

C9H7N3O — CID 172907210

IUPAC4-prop-2-ynylpyrazolo[1,5-a]pyrimidin-7-one
SMILESC#CCn1ccc(=O)n2nccc12
InChIInChI=1S/C9H7N3O/c1-2-6-11-7-4-9(13)12-8(11)3-5-10-12/h1,3-5,7H,6H2
InChIKeyRAZXYCKYXYHSMD-UHFFFAOYSA-N
MW173.17 g/mol
LogP0.13
Rot. Bonds1

About 4-prop-2-ynylpyrazolo[1,5-a]pyrimidin-7-one

4-prop-2-ynylpyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 172907210) has the molecular formula C9H7N3O and a molecular weight of 173.17 g/mol. Its IUPAC name is 4-prop-2-ynylpyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name4-prop-2-ynylpyrazolo[1,5-a]pyrimidin-7-one
PubChem CID172907210
Molecular FormulaC9H7N3O
Molecular Weight173.17 g/mol
Exact Mass173.06
IUPAC Name4-prop-2-ynylpyrazolo[1,5-a]pyrimidin-7-one
SMILESC#CCn1ccc(=O)n2nccc12
InChIInChI=1S/C9H7N3O/c1-2-6-11-7-4-9(13)12-8(11)3-5-10-12/h1,3-5,7H,6H2
InChIKeyRAZXYCKYXYHSMD-UHFFFAOYSA-N
XLogP0.13
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-prop-2-ynylpyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 4-prop-2-ynylpyrazolo[1,5-a]pyrimidin-7-one (CID 172907210) is 4-prop-2-ynylpyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 4-prop-2-ynylpyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 4-prop-2-ynylpyrazolo[1,5-a]pyrimidin-7-one is C#CCn1ccc(=O)n2nccc12.
What is the InChIKey of 4-prop-2-ynylpyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is RAZXYCKYXYHSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O/c1-2-6-11-7-4-9(13)12-8(11)3-5-10-12/h1,3-5,7H,6H2.
What are the key properties of 4-prop-2-ynylpyrazolo[1,5-a]pyrimidin-7-one?
4-prop-2-ynylpyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 173.17 g/mol, XLogP of 0.13, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-ynylpyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 172907210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).