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

C20H19N3O2 — CID 122195700

IUPAC[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCCn2nc(COc3ccccc3)cc21
InChIInChI=1S/C20H19N3O2/c24-20(16-8-3-1-4-9-16)22-12-7-13-23-19(22)14-17(21-23)15-25-18-10-5-2-6-11-18/h1-6,8-11,14H,7,12-13,15H2
InChIKeyUPHRVLGBWYCCHQ-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.51
Rot. Bonds4

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

[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-phenylmethanone (PubChem CID 122195700) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is [2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-phenylmethanone
PubChem CID122195700
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCCn2nc(COc3ccccc3)cc21
InChIInChI=1S/C20H19N3O2/c24-20(16-8-3-1-4-9-16)22-12-7-13-23-19(22)14-17(21-23)15-25-18-10-5-2-6-11-18/h1-6,8-11,14H,7,12-13,15H2
InChIKeyUPHRVLGBWYCCHQ-UHFFFAOYSA-N
XLogP3.51
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-phenylmethanone?
The IUPAC name of [2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-phenylmethanone (CID 122195700) is [2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-phenylmethanone.
What is the SMILES notation for [2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-phenylmethanone?
The canonical SMILES for [2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-phenylmethanone is O=C(c1ccccc1)N1CCCn2nc(COc3ccccc3)cc21.
What is the InChIKey of [2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-phenylmethanone?
The InChIKey is UPHRVLGBWYCCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c24-20(16-8-3-1-4-9-16)22-12-7-13-23-19(22)14-17(21-23)15-25-18-10-5-2-6-11-18/h1-6,8-11,14H,7,12-13,15H2.
What are the key properties of [2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-phenylmethanone?
[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-phenylmethanone has a molecular weight of 333.39 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-phenylmethanone is sourced from PubChem (CID 122195700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).