[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(oxan-3-yl)methanone

C14H23N3O3 — CID 114640631

IUPAC[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(oxan-3-yl)methanone
SMILESCOc1cnn(CCN(C)C)c1C(=O)C1CCCOC1
InChIInChI=1S/C14H23N3O3/c1-16(2)6-7-17-13(12(19-3)9-15-17)14(18)11-5-4-8-20-10-11/h9,11H,4-8,10H2,1-3H3
InChIKeyIWQDBYVJZAMTCO-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.06
Rot. Bonds6

About [1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(oxan-3-yl)methanone

[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(oxan-3-yl)methanone (PubChem CID 114640631) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is [1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(oxan-3-yl)methanone.

Molecular Properties

Compound Name[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(oxan-3-yl)methanone
PubChem CID114640631
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(oxan-3-yl)methanone
SMILESCOc1cnn(CCN(C)C)c1C(=O)C1CCCOC1
InChIInChI=1S/C14H23N3O3/c1-16(2)6-7-17-13(12(19-3)9-15-17)14(18)11-5-4-8-20-10-11/h9,11H,4-8,10H2,1-3H3
InChIKeyIWQDBYVJZAMTCO-UHFFFAOYSA-N
XLogP1.06
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
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-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(oxan-3-yl)methanone?
The IUPAC name of [1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(oxan-3-yl)methanone (CID 114640631) is [1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(oxan-3-yl)methanone.
What is the SMILES notation for [1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(oxan-3-yl)methanone?
The canonical SMILES for [1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(oxan-3-yl)methanone is COc1cnn(CCN(C)C)c1C(=O)C1CCCOC1.
What is the InChIKey of [1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(oxan-3-yl)methanone?
The InChIKey is IWQDBYVJZAMTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-16(2)6-7-17-13(12(19-3)9-15-17)14(18)11-5-4-8-20-10-11/h9,11H,4-8,10H2,1-3H3.
What are the key properties of [1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(oxan-3-yl)methanone?
[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(oxan-3-yl)methanone has a molecular weight of 281.36 g/mol, XLogP of 1.06, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(oxan-3-yl)methanone is sourced from PubChem (CID 114640631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).