cyclopropyl-[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone

C17H19N3O2 — CID 122195696

IUPACcyclopropyl-[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone
SMILESO=C(C1CC1)N1CCCn2nc(COc3ccccc3)cc21
InChIInChI=1S/C17H19N3O2/c21-17(13-7-8-13)19-9-4-10-20-16(19)11-14(18-20)12-22-15-5-2-1-3-6-15/h1-3,5-6,11,13H,4,7-10,12H2
InChIKeyLAIRLBIWFMAKAV-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.61
Rot. Bonds4

About cyclopropyl-[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone

cyclopropyl-[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone (PubChem CID 122195696) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is cyclopropyl-[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone
PubChem CID122195696
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Namecyclopropyl-[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone
SMILESO=C(C1CC1)N1CCCn2nc(COc3ccccc3)cc21
InChIInChI=1S/C17H19N3O2/c21-17(13-7-8-13)19-9-4-10-20-16(19)11-14(18-20)12-22-15-5-2-1-3-6-15/h1-3,5-6,11,13H,4,7-10,12H2
InChIKeyLAIRLBIWFMAKAV-UHFFFAOYSA-N
XLogP2.61
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone?
The IUPAC name of cyclopropyl-[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone (CID 122195696) is cyclopropyl-[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone.
What is the SMILES notation for cyclopropyl-[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone?
The canonical SMILES for cyclopropyl-[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone is O=C(C1CC1)N1CCCn2nc(COc3ccccc3)cc21.
What is the InChIKey of cyclopropyl-[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone?
The InChIKey is LAIRLBIWFMAKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c21-17(13-7-8-13)19-9-4-10-20-16(19)11-14(18-20)12-22-15-5-2-1-3-6-15/h1-3,5-6,11,13H,4,7-10,12H2.
What are the key properties of cyclopropyl-[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone?
cyclopropyl-[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone has a molecular weight of 297.36 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone is sourced from PubChem (CID 122195696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).