4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]pentan-2-one

C13H23N3O2 — CID 114663647

IUPAC4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]pentan-2-one
SMILESCOc1cnn(CCN(C)C)c1C(C)CC(C)=O
InChIInChI=1S/C13H23N3O2/c1-10(8-11(2)17)13-12(18-5)9-14-16(13)7-6-15(3)4/h9-10H,6-8H2,1-5H3
InChIKeyQOJFSJTZUWYWAA-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.54
Rot. Bonds7

About 4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]pentan-2-one

4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]pentan-2-one (PubChem CID 114663647) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]pentan-2-one.

Molecular Properties

Compound Name4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]pentan-2-one
PubChem CID114663647
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]pentan-2-one
SMILESCOc1cnn(CCN(C)C)c1C(C)CC(C)=O
InChIInChI=1S/C13H23N3O2/c1-10(8-11(2)17)13-12(18-5)9-14-16(13)7-6-15(3)4/h9-10H,6-8H2,1-5H3
InChIKeyQOJFSJTZUWYWAA-UHFFFAOYSA-N
XLogP1.54
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]ethanamine
CID 114646809
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-propan-2-yloxyethanol
CID 105127519
2-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-hydroxyacetaldehyde
CID 114636576
4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-propylpentan-2-amine
CID 114664610
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-4-methoxybutan-1-ol
CID 114643797
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-3-methoxy-3-methylbutan-1-ol
CID 103027699
2-amino-1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]propan-1-one
CID 114668269
[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-pyrimidin-2-ylmethanol
CID 114643046
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N,2-dimethylbutan-1-amine
CID 114651696
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-3,4,4-trimethylpentan-1-one
CID 115803152
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methoxy-3-methylbutan-1-one
CID 114642562
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-ethyl-2-methylbutan-1-amine
CID 114651722

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]pentan-2-one?
The IUPAC name of 4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]pentan-2-one (CID 114663647) is 4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]pentan-2-one.
What is the SMILES notation for 4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]pentan-2-one?
The canonical SMILES for 4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]pentan-2-one is COc1cnn(CCN(C)C)c1C(C)CC(C)=O.
What is the InChIKey of 4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]pentan-2-one?
The InChIKey is QOJFSJTZUWYWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-10(8-11(2)17)13-12(18-5)9-14-16(13)7-6-15(3)4/h9-10H,6-8H2,1-5H3.
What are the key properties of 4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]pentan-2-one?
4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]pentan-2-one has a molecular weight of 253.35 g/mol, XLogP of 1.54, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]pentan-2-one is sourced from PubChem (CID 114663647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).