7-cyclopropyl-2-propyl-4H-pyrazolo[1,5-a]pyrimidin-5-one

C12H15N3O — CID 136868973

IUPAC7-cyclopropyl-2-propyl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCCCc1cc2[nH]c(=O)cc(C3CC3)n2n1
InChIInChI=1S/C12H15N3O/c1-2-3-9-6-11-13-12(16)7-10(8-4-5-8)15(11)14-9/h6-8H,2-5H2,1H3,(H,13,16)
InChIKeyJLLGFMBGCZUMPX-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.85
Rot. Bonds3

About 7-cyclopropyl-2-propyl-4H-pyrazolo[1,5-a]pyrimidin-5-one

7-cyclopropyl-2-propyl-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 136868973) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 7-cyclopropyl-2-propyl-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-cyclopropyl-2-propyl-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID136868973
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name7-cyclopropyl-2-propyl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCCCc1cc2[nH]c(=O)cc(C3CC3)n2n1
InChIInChI=1S/C12H15N3O/c1-2-3-9-6-11-13-12(16)7-10(8-4-5-8)15(11)14-9/h6-8H,2-5H2,1H3,(H,13,16)
InChIKeyJLLGFMBGCZUMPX-UHFFFAOYSA-N
XLogP1.85
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-cyclopropyl-2-propyl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 7-cyclopropyl-2-propyl-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 136868973) is 7-cyclopropyl-2-propyl-4H-pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 7-cyclopropyl-2-propyl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 7-cyclopropyl-2-propyl-4H-pyrazolo[1,5-a]pyrimidin-5-one is CCCc1cc2[nH]c(=O)cc(C3CC3)n2n1.
What is the InChIKey of 7-cyclopropyl-2-propyl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is JLLGFMBGCZUMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-2-3-9-6-11-13-12(16)7-10(8-4-5-8)15(11)14-9/h6-8H,2-5H2,1H3,(H,13,16).
What are the key properties of 7-cyclopropyl-2-propyl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
7-cyclopropyl-2-propyl-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 217.27 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropyl-2-propyl-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 136868973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).