1-[2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(2-methylphenoxy)ethanone

C19H25N3O3 — CID 118741212

IUPAC1-[2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(2-methylphenoxy)ethanone
SMILESCCn1cc2c(n1)C(COC)CN(C(=O)COc1ccccc1C)C2
InChIInChI=1S/C19H25N3O3/c1-4-22-11-15-9-21(10-16(12-24-3)19(15)20-22)18(23)13-25-17-8-6-5-7-14(17)2/h5-8,11,16H,4,9-10,12-13H2,1-3H3
InChIKeyRVYNRKASPBTITF-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.36
Rot. Bonds6

About 1-[2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(2-methylphenoxy)ethanone

1-[2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(2-methylphenoxy)ethanone (PubChem CID 118741212) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-[2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(2-methylphenoxy)ethanone.

Molecular Properties

Compound Name1-[2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(2-methylphenoxy)ethanone
PubChem CID118741212
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name1-[2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(2-methylphenoxy)ethanone
SMILESCCn1cc2c(n1)C(COC)CN(C(=O)COc1ccccc1C)C2
InChIInChI=1S/C19H25N3O3/c1-4-22-11-15-9-21(10-16(12-24-3)19(15)20-22)18(23)13-25-17-8-6-5-7-14(17)2/h5-8,11,16H,4,9-10,12-13H2,1-3H3
InChIKeyRVYNRKASPBTITF-UHFFFAOYSA-N
XLogP2.36
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(2-methylphenoxy)ethanone?
The IUPAC name of 1-[2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(2-methylphenoxy)ethanone (CID 118741212) is 1-[2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(2-methylphenoxy)ethanone.
What is the SMILES notation for 1-[2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(2-methylphenoxy)ethanone?
The canonical SMILES for 1-[2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(2-methylphenoxy)ethanone is CCn1cc2c(n1)C(COC)CN(C(=O)COc1ccccc1C)C2.
What is the InChIKey of 1-[2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(2-methylphenoxy)ethanone?
The InChIKey is RVYNRKASPBTITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-4-22-11-15-9-21(10-16(12-24-3)19(15)20-22)18(23)13-25-17-8-6-5-7-14(17)2/h5-8,11,16H,4,9-10,12-13H2,1-3H3.
What are the key properties of 1-[2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(2-methylphenoxy)ethanone?
1-[2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(2-methylphenoxy)ethanone has a molecular weight of 343.43 g/mol, XLogP of 2.36, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(2-methylphenoxy)ethanone is sourced from PubChem (CID 118741212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).