[1-benzyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(oxolan-2-yl)methanone

C19H23N3O3 — CID 71837205

IUPAC[1-benzyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1CCc2c(c(CO)nn2Cc2ccccc2)C1
InChIInChI=1S/C19H23N3O3/c23-13-16-15-12-21(19(24)18-7-4-10-25-18)9-8-17(15)22(20-16)11-14-5-2-1-3-6-14/h1-3,5-6,18,23H,4,7-13H2
InChIKeyLOLPAUCHYZVDGP-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.49
Rot. Bonds4

About [1-benzyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(oxolan-2-yl)methanone

[1-benzyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(oxolan-2-yl)methanone (PubChem CID 71837205) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is [1-benzyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[1-benzyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(oxolan-2-yl)methanone
PubChem CID71837205
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name[1-benzyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1CCc2c(c(CO)nn2Cc2ccccc2)C1
InChIInChI=1S/C19H23N3O3/c23-13-16-15-12-21(19(24)18-7-4-10-25-18)9-8-17(15)22(20-16)11-14-5-2-1-3-6-14/h1-3,5-6,18,23H,4,7-13H2
InChIKeyLOLPAUCHYZVDGP-UHFFFAOYSA-N
XLogP1.49
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-benzyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [1-benzyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(oxolan-2-yl)methanone (CID 71837205) is [1-benzyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [1-benzyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [1-benzyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(oxolan-2-yl)methanone is O=C(C1CCCO1)N1CCc2c(c(CO)nn2Cc2ccccc2)C1.
What is the InChIKey of [1-benzyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(oxolan-2-yl)methanone?
The InChIKey is LOLPAUCHYZVDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c23-13-16-15-12-21(19(24)18-7-4-10-25-18)9-8-17(15)22(20-16)11-14-5-2-1-3-6-14/h1-3,5-6,18,23H,4,7-13H2.
What are the key properties of [1-benzyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(oxolan-2-yl)methanone?
[1-benzyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(oxolan-2-yl)methanone has a molecular weight of 341.41 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-benzyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 71837205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).