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

C18H17N3O3 — CID 122195707

IUPACfuran-2-yl-[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone
SMILESO=C(c1ccco1)N1CCCn2nc(COc3ccccc3)cc21
InChIInChI=1S/C18H17N3O3/c22-18(16-8-4-11-23-16)20-9-5-10-21-17(20)12-14(19-21)13-24-15-6-2-1-3-7-15/h1-4,6-8,11-12H,5,9-10,13H2
InChIKeyUOXLZWIVCQPQKL-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.11
Rot. Bonds4

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

furan-2-yl-[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone (PubChem CID 122195707) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is furan-2-yl-[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone
PubChem CID122195707
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Namefuran-2-yl-[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone
SMILESO=C(c1ccco1)N1CCCn2nc(COc3ccccc3)cc21
InChIInChI=1S/C18H17N3O3/c22-18(16-8-4-11-23-16)20-9-5-10-21-17(20)12-14(19-21)13-24-15-6-2-1-3-7-15/h1-4,6-8,11-12H,5,9-10,13H2
InChIKeyUOXLZWIVCQPQKL-UHFFFAOYSA-N
XLogP3.11
TPSA60.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

cyclobutyl-[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone
CID 122195697
furan-2-yl-[3-(phenoxymethyl)piperidin-1-yl]methanone
CID 110410357
2-(phenoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine
CID 118706773
N-benzyl-N-methyl-2-(phenoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine
CID 118706780
1-[2-(phenoxymethyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]ethanone
CID 122195728
furan-2-yl-[3-(pyridin-3-yloxymethyl)-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepin-5-yl]methanone
CID 97405226
1-(furan-2-carbonyl)pyrrolidin-2-one
CID 14424878
N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-phenylmethoxybenzamide
CID 16606665
N-[6-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2-phenoxyacetamide
CID 42857103
5-(oxan-4-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 72703406
5-[(2-fluoro-2-methylcyclopropyl)methyl]-2-(phenoxymethyl)-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one
CID 158478677
7-[(2,2-difluorocyclopropyl)methyl]-2-(phenoxymethyl)-6,8,9,10-tetrahydro-4H-pyrazolo[1,5-g][1,3,7]oxadiazonine
CID 162592822

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone?
The IUPAC name of furan-2-yl-[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone (CID 122195707) is furan-2-yl-[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone.
What is the SMILES notation for furan-2-yl-[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone?
The canonical SMILES for furan-2-yl-[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone is O=C(c1ccco1)N1CCCn2nc(COc3ccccc3)cc21.
What is the InChIKey of furan-2-yl-[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone?
The InChIKey is UOXLZWIVCQPQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c22-18(16-8-4-11-23-16)20-9-5-10-21-17(20)12-14(19-21)13-24-15-6-2-1-3-7-15/h1-4,6-8,11-12H,5,9-10,13H2.
What are the key properties of furan-2-yl-[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone?
furan-2-yl-[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone has a molecular weight of 323.35 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone is sourced from PubChem (CID 122195707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).