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

C18H21N3O2 — CID 122195697

IUPACcyclobutyl-[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone
SMILESO=C(C1CCC1)N1CCCn2nc(COc3ccccc3)cc21
InChIInChI=1S/C18H21N3O2/c22-18(14-6-4-7-14)20-10-5-11-21-17(20)12-15(19-21)13-23-16-8-2-1-3-9-16/h1-3,8-9,12,14H,4-7,10-11,13H2
InChIKeyYNBNWPHFPQRKNO-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.00
Rot. Bonds4

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

cyclobutyl-[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone (PubChem CID 122195697) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is cyclobutyl-[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone
PubChem CID122195697
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Namecyclobutyl-[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone
SMILESO=C(C1CCC1)N1CCCn2nc(COc3ccccc3)cc21
InChIInChI=1S/C18H21N3O2/c22-18(14-6-4-7-14)20-10-5-11-21-17(20)12-15(19-21)13-23-16-8-2-1-3-9-16/h1-3,8-9,12,14H,4-7,10-11,13H2
InChIKeyYNBNWPHFPQRKNO-UHFFFAOYSA-N
XLogP3.00
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone?
The IUPAC name of cyclobutyl-[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone (CID 122195697) is cyclobutyl-[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone.
What is the SMILES notation for cyclobutyl-[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone?
The canonical SMILES for cyclobutyl-[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone is O=C(C1CCC1)N1CCCn2nc(COc3ccccc3)cc21.
What is the InChIKey of cyclobutyl-[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone?
The InChIKey is YNBNWPHFPQRKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c22-18(14-6-4-7-14)20-10-5-11-21-17(20)12-15(19-21)13-23-16-8-2-1-3-9-16/h1-3,8-9,12,14H,4-7,10-11,13H2.
What are the key properties of cyclobutyl-[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone?
cyclobutyl-[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone has a molecular weight of 311.38 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone is sourced from PubChem (CID 122195697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).