3-(diethylamino)-1-(4-methoxy-1-methylpyrazol-5-yl)propan-1-one

C12H21N3O2 — CID 114641301

IUPAC3-(diethylamino)-1-(4-methoxy-1-methylpyrazol-5-yl)propan-1-one
SMILESCCN(CC)CCC(=O)c1c(OC)cnn1C
InChIInChI=1S/C12H21N3O2/c1-5-15(6-2)8-7-10(16)12-11(17-4)9-13-14(12)3/h9H,5-8H2,1-4H3
InChIKeyDYBITZHWIRSEKF-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.34
Rot. Bonds7

About 3-(diethylamino)-1-(4-methoxy-1-methylpyrazol-5-yl)propan-1-one

3-(diethylamino)-1-(4-methoxy-1-methylpyrazol-5-yl)propan-1-one (PubChem CID 114641301) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-(diethylamino)-1-(4-methoxy-1-methylpyrazol-5-yl)propan-1-one.

Molecular Properties

Compound Name3-(diethylamino)-1-(4-methoxy-1-methylpyrazol-5-yl)propan-1-one
PubChem CID114641301
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name3-(diethylamino)-1-(4-methoxy-1-methylpyrazol-5-yl)propan-1-one
SMILESCCN(CC)CCC(=O)c1c(OC)cnn1C
InChIInChI=1S/C12H21N3O2/c1-5-15(6-2)8-7-10(16)12-11(17-4)9-13-14(12)3/h9H,5-8H2,1-4H3
InChIKeyDYBITZHWIRSEKF-UHFFFAOYSA-N
XLogP1.34
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-1-(4-methoxy-1-methylpyrazol-5-yl)pentan-1-one
CID 114669303
6-amino-1-(4-methoxy-1-methylpyrazol-5-yl)hexan-1-one
CID 114668168
6-amino-1-(4-methoxy-1-methylpyrazol-5-yl)-4,4-dimethylhexan-1-one
CID 114669435
1-(4-methoxy-1-methylpyrazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 105132702
1-(4-methoxy-1-methylpyrazol-5-yl)-2-propan-2-yloxyethanone
CID 105132749
2-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)butan-1-one
CID 115809538
methyl 4-methoxy-1-methylpyrazole-5-carboxylate
CID 106942430
2-(butan-2-ylamino)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanone
CID 114668516
4-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-3-methylbutan-1-one
CID 105132777
1-(4-methoxy-1-methylpyrazol-5-yl)-2-pyridin-4-ylethanone
CID 114639767
(E)-1-(4-methoxy-1-methylpyrazol-5-yl)pent-2-en-1-one
CID 103454159
2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)butan-1-one
CID 114642497

Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-1-(4-methoxy-1-methylpyrazol-5-yl)propan-1-one?
The IUPAC name of 3-(diethylamino)-1-(4-methoxy-1-methylpyrazol-5-yl)propan-1-one (CID 114641301) is 3-(diethylamino)-1-(4-methoxy-1-methylpyrazol-5-yl)propan-1-one.
What is the SMILES notation for 3-(diethylamino)-1-(4-methoxy-1-methylpyrazol-5-yl)propan-1-one?
The canonical SMILES for 3-(diethylamino)-1-(4-methoxy-1-methylpyrazol-5-yl)propan-1-one is CCN(CC)CCC(=O)c1c(OC)cnn1C.
What is the InChIKey of 3-(diethylamino)-1-(4-methoxy-1-methylpyrazol-5-yl)propan-1-one?
The InChIKey is DYBITZHWIRSEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-5-15(6-2)8-7-10(16)12-11(17-4)9-13-14(12)3/h9H,5-8H2,1-4H3.
What are the key properties of 3-(diethylamino)-1-(4-methoxy-1-methylpyrazol-5-yl)propan-1-one?
3-(diethylamino)-1-(4-methoxy-1-methylpyrazol-5-yl)propan-1-one has a molecular weight of 239.32 g/mol, XLogP of 1.34, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-1-(4-methoxy-1-methylpyrazol-5-yl)propan-1-one is sourced from PubChem (CID 114641301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).