1-(butan-2-ylamino)-3-(1-methylpyrazol-3-yl)propan-2-one

C11H19N3O — CID 116556161

IUPAC1-(butan-2-ylamino)-3-(1-methylpyrazol-3-yl)propan-2-one
SMILESCCC(C)NCC(=O)Cc1ccn(C)n1
InChIInChI=1S/C11H19N3O/c1-4-9(2)12-8-11(15)7-10-5-6-14(3)13-10/h5-6,9,12H,4,7-8H2,1-3H3
InChIKeyFFUBMFIUDWGVPI-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.92
Rot. Bonds6

About 1-(butan-2-ylamino)-3-(1-methylpyrazol-3-yl)propan-2-one

1-(butan-2-ylamino)-3-(1-methylpyrazol-3-yl)propan-2-one (PubChem CID 116556161) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-(butan-2-ylamino)-3-(1-methylpyrazol-3-yl)propan-2-one.

Molecular Properties

Compound Name1-(butan-2-ylamino)-3-(1-methylpyrazol-3-yl)propan-2-one
PubChem CID116556161
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name1-(butan-2-ylamino)-3-(1-methylpyrazol-3-yl)propan-2-one
SMILESCCC(C)NCC(=O)Cc1ccn(C)n1
InChIInChI=1S/C11H19N3O/c1-4-9(2)12-8-11(15)7-10-5-6-14(3)13-10/h5-6,9,12H,4,7-8H2,1-3H3
InChIKeyFFUBMFIUDWGVPI-UHFFFAOYSA-N
XLogP0.92
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-(1-methylpyrazol-3-yl)hexan-2-one
CID 116609043
3-ethyl-1-(1-methylpyrazol-3-yl)pentan-2-one
CID 115793089
4-(ethylamino)-3-methyl-1-(1-methylpyrazol-3-yl)butan-2-one
CID 116565256
methyl 2-(1-methylpyrazol-3-yl)acetate
CID 13269736
N-[(2R)-butan-2-yl]-1-methylpyrazole-3-carboxamide
CID 35763827
N-[(2S)-butan-2-yl]-1-methylpyrazole-3-carboxamide
CID 35763828
3-methyl-2-[(1-methylpyrazol-3-yl)methylamino]butanoic acid
CID 82869167
3-methyl-4-(methylamino)-1-(1-methylpyrazol-3-yl)butan-2-one
CID 116586852
1-(4-methylphenyl)-3-(1-methylpyrazol-3-yl)propan-2-one
CID 82870110
N-butan-2-yl-2-[(1-methylpyrazol-3-yl)amino]acetamide
CID 79779691
3-ethoxy-1-(1-methylpyrazol-3-yl)pentan-2-one
CID 116707579
1,1-dimethoxy-3-(1-methylpyrazol-3-yl)propan-2-one
CID 82869464

Frequently Asked Questions

What is the IUPAC name of 1-(butan-2-ylamino)-3-(1-methylpyrazol-3-yl)propan-2-one?
The IUPAC name of 1-(butan-2-ylamino)-3-(1-methylpyrazol-3-yl)propan-2-one (CID 116556161) is 1-(butan-2-ylamino)-3-(1-methylpyrazol-3-yl)propan-2-one.
What is the SMILES notation for 1-(butan-2-ylamino)-3-(1-methylpyrazol-3-yl)propan-2-one?
The canonical SMILES for 1-(butan-2-ylamino)-3-(1-methylpyrazol-3-yl)propan-2-one is CCC(C)NCC(=O)Cc1ccn(C)n1.
What is the InChIKey of 1-(butan-2-ylamino)-3-(1-methylpyrazol-3-yl)propan-2-one?
The InChIKey is FFUBMFIUDWGVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-4-9(2)12-8-11(15)7-10-5-6-14(3)13-10/h5-6,9,12H,4,7-8H2,1-3H3.
What are the key properties of 1-(butan-2-ylamino)-3-(1-methylpyrazol-3-yl)propan-2-one?
1-(butan-2-ylamino)-3-(1-methylpyrazol-3-yl)propan-2-one has a molecular weight of 209.29 g/mol, XLogP of 0.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(butan-2-ylamino)-3-(1-methylpyrazol-3-yl)propan-2-one is sourced from PubChem (CID 116556161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).