2-(butan-2-ylamino)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanone

C11H19N3O2 — CID 114668516

IUPAC2-(butan-2-ylamino)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanone
SMILESCCC(C)NCC(=O)c1c(OC)cnn1C
InChIInChI=1S/C11H19N3O2/c1-5-8(2)12-6-9(15)11-10(16-4)7-13-14(11)3/h7-8,12H,5-6H2,1-4H3
InChIKeyOWZJCPUUTXQQEX-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.00
Rot. Bonds6

About 2-(butan-2-ylamino)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanone

2-(butan-2-ylamino)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanone (PubChem CID 114668516) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanone.

Molecular Properties

Compound Name2-(butan-2-ylamino)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanone
PubChem CID114668516
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name2-(butan-2-ylamino)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanone
SMILESCCC(C)NCC(=O)c1c(OC)cnn1C
InChIInChI=1S/C11H19N3O2/c1-5-8(2)12-6-9(15)11-10(16-4)7-13-14(11)3/h7-8,12H,5-6H2,1-4H3
InChIKeyOWZJCPUUTXQQEX-UHFFFAOYSA-N
XLogP1.00
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
4-methoxy-1-methylpyrazole-5-carboxylic acid
CID 46398720
4-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-3-methylbutan-1-one
CID 105132777
2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)butan-1-one
CID 114642497
methyl 4-methoxy-1-methylpyrazole-5-carboxylate
CID 106942430
3-(diethylamino)-1-(4-methoxy-1-methylpyrazol-5-yl)propan-1-one
CID 114641301
1-(4-methoxy-1-methylpyrazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 105132702
5-amino-1-(4-methoxy-1-methylpyrazol-5-yl)pentan-1-one
CID 114669303
1-(4-methoxy-1-methylpyrazol-5-yl)-2-piperazin-1-ylethanone
CID 114668690
6-amino-1-(4-methoxy-1-methylpyrazol-5-yl)-4,4-dimethylhexan-1-one
CID 114669435
6-amino-1-(4-methoxy-1-methylpyrazol-5-yl)hexan-1-one
CID 114668168

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanone?
The IUPAC name of 2-(butan-2-ylamino)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanone (CID 114668516) is 2-(butan-2-ylamino)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanone.
What is the SMILES notation for 2-(butan-2-ylamino)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanone?
The canonical SMILES for 2-(butan-2-ylamino)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanone is CCC(C)NCC(=O)c1c(OC)cnn1C.
What is the InChIKey of 2-(butan-2-ylamino)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanone?
The InChIKey is OWZJCPUUTXQQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-5-8(2)12-6-9(15)11-10(16-4)7-13-14(11)3/h7-8,12H,5-6H2,1-4H3.
What are the key properties of 2-(butan-2-ylamino)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanone?
2-(butan-2-ylamino)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanone has a molecular weight of 225.29 g/mol, XLogP of 1.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanone is sourced from PubChem (CID 114668516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).