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

C18H23N3O3 — CID 71830203

IUPAC1-[1-benzyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-methoxypropan-1-one
SMILESCOCCC(=O)N1CCc2c(c(CO)nn2Cc2ccccc2)C1
InChIInChI=1S/C18H23N3O3/c1-24-10-8-18(23)20-9-7-17-15(12-20)16(13-22)19-21(17)11-14-5-3-2-4-6-14/h2-6,22H,7-13H2,1H3
InChIKeySCUKMDCLOXGIDR-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.34
Rot. Bonds6

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

1-[1-benzyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-methoxypropan-1-one (PubChem CID 71830203) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-[1-benzyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-methoxypropan-1-one.

Molecular Properties

Compound Name1-[1-benzyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-methoxypropan-1-one
PubChem CID71830203
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name1-[1-benzyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-methoxypropan-1-one
SMILESCOCCC(=O)N1CCc2c(c(CO)nn2Cc2ccccc2)C1
InChIInChI=1S/C18H23N3O3/c1-24-10-8-18(23)20-9-7-17-15(12-20)16(13-22)19-21(17)11-14-5-3-2-4-6-14/h2-6,22H,7-13H2,1H3
InChIKeySCUKMDCLOXGIDR-UHFFFAOYSA-N
XLogP1.34
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-benzyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-methoxypropan-1-one?
The IUPAC name of 1-[1-benzyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-methoxypropan-1-one (CID 71830203) is 1-[1-benzyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-methoxypropan-1-one.
What is the SMILES notation for 1-[1-benzyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-methoxypropan-1-one?
The canonical SMILES for 1-[1-benzyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-methoxypropan-1-one is COCCC(=O)N1CCc2c(c(CO)nn2Cc2ccccc2)C1.
What is the InChIKey of 1-[1-benzyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-methoxypropan-1-one?
The InChIKey is SCUKMDCLOXGIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-24-10-8-18(23)20-9-7-17-15(12-20)16(13-22)19-21(17)11-14-5-3-2-4-6-14/h2-6,22H,7-13H2,1H3.
What are the key properties of 1-[1-benzyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-methoxypropan-1-one?
1-[1-benzyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-methoxypropan-1-one has a molecular weight of 329.40 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-benzyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-methoxypropan-1-one is sourced from PubChem (CID 71830203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).