1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-(oxolan-3-yl)ethanone

C14H23N3O3 — CID 114642300

IUPAC1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-(oxolan-3-yl)ethanone
SMILESCOc1cnn(CCN(C)C)c1C(=O)CC1CCOC1
InChIInChI=1S/C14H23N3O3/c1-16(2)5-6-17-14(13(19-3)9-15-17)12(18)8-11-4-7-20-10-11/h9,11H,4-8,10H2,1-3H3
InChIKeyMPSYIQOSNBADSD-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.06
Rot. Bonds7

About 1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-(oxolan-3-yl)ethanone

1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-(oxolan-3-yl)ethanone (PubChem CID 114642300) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-(oxolan-3-yl)ethanone.

Molecular Properties

Compound Name1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-(oxolan-3-yl)ethanone
PubChem CID114642300
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-(oxolan-3-yl)ethanone
SMILESCOc1cnn(CCN(C)C)c1C(=O)CC1CCOC1
InChIInChI=1S/C14H23N3O3/c1-16(2)5-6-17-14(13(19-3)9-15-17)12(18)8-11-4-7-20-10-11/h9,11H,4-8,10H2,1-3H3
InChIKeyMPSYIQOSNBADSD-UHFFFAOYSA-N
XLogP1.06
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-(oxolan-3-yl)ethanone?
The IUPAC name of 1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-(oxolan-3-yl)ethanone (CID 114642300) is 1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-(oxolan-3-yl)ethanone.
What is the SMILES notation for 1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-(oxolan-3-yl)ethanone?
The canonical SMILES for 1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-(oxolan-3-yl)ethanone is COc1cnn(CCN(C)C)c1C(=O)CC1CCOC1.
What is the InChIKey of 1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-(oxolan-3-yl)ethanone?
The InChIKey is MPSYIQOSNBADSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-16(2)5-6-17-14(13(19-3)9-15-17)12(18)8-11-4-7-20-10-11/h9,11H,4-8,10H2,1-3H3.
What are the key properties of 1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-(oxolan-3-yl)ethanone?
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-(oxolan-3-yl)ethanone has a molecular weight of 281.36 g/mol, XLogP of 1.06, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-(oxolan-3-yl)ethanone is sourced from PubChem (CID 114642300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).