1-(butan-2-ylamino)-3-(1-ethylpyrazol-4-yl)propan-2-one

C12H21N3O — CID 116556301

IUPAC1-(butan-2-ylamino)-3-(1-ethylpyrazol-4-yl)propan-2-one
SMILESCCC(C)NCC(=O)Cc1cnn(CC)c1
InChIInChI=1S/C12H21N3O/c1-4-10(3)13-8-12(16)6-11-7-14-15(5-2)9-11/h7,9-10,13H,4-6,8H2,1-3H3
InChIKeyNOGAWCZYABSEHR-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.40
Rot. Bonds7

About 1-(butan-2-ylamino)-3-(1-ethylpyrazol-4-yl)propan-2-one

1-(butan-2-ylamino)-3-(1-ethylpyrazol-4-yl)propan-2-one (PubChem CID 116556301) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-(butan-2-ylamino)-3-(1-ethylpyrazol-4-yl)propan-2-one.

Molecular Properties

Compound Name1-(butan-2-ylamino)-3-(1-ethylpyrazol-4-yl)propan-2-one
PubChem CID116556301
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-(butan-2-ylamino)-3-(1-ethylpyrazol-4-yl)propan-2-one
SMILESCCC(C)NCC(=O)Cc1cnn(CC)c1
InChIInChI=1S/C12H21N3O/c1-4-10(3)13-8-12(16)6-11-7-14-15(5-2)9-11/h7,9-10,13H,4-6,8H2,1-3H3
InChIKeyNOGAWCZYABSEHR-UHFFFAOYSA-N
XLogP1.40
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethylpyrazol-4-yl)butan-2-one
CID 62126420
1-(ethylamino)-3-(1-ethylpyrazol-4-yl)propan-2-one
CID 116562677
1-(cyclopropylamino)-3-(1-ethylpyrazol-4-yl)propan-2-one
CID 116555221
1-(1-ethylpyrazol-4-yl)-3-methylsulfanylpropan-2-one
CID 62691716
1-(1-ethylpyrazol-4-yl)-3-(2-methoxyethylamino)propan-2-one
CID 116591662
1-(1-ethylpyrazol-4-yl)-4-methylpentan-3-one
CID 62126384
methyl (2S)-2-[(1-ethylpyrazol-4-yl)methylamino]-3-methylbutanoate
CID 94358808
3-[(1-ethylpyrazol-4-yl)methylamino]butan-1-ol
CID 78998031
1-(1-ethylpyrazol-4-yl)-4-piperidin-3-ylpentan-2-one
CID 116594471
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(1-ethylpyrazol-4-yl)acetamide
CID 166236553
1-(1-ethylpyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one
CID 103213962
2-(1-ethylpyrazol-4-yl)-1-(4-propan-2-ylcyclohexyl)ethanone
CID 65423313

Frequently Asked Questions

What is the IUPAC name of 1-(butan-2-ylamino)-3-(1-ethylpyrazol-4-yl)propan-2-one?
The IUPAC name of 1-(butan-2-ylamino)-3-(1-ethylpyrazol-4-yl)propan-2-one (CID 116556301) is 1-(butan-2-ylamino)-3-(1-ethylpyrazol-4-yl)propan-2-one.
What is the SMILES notation for 1-(butan-2-ylamino)-3-(1-ethylpyrazol-4-yl)propan-2-one?
The canonical SMILES for 1-(butan-2-ylamino)-3-(1-ethylpyrazol-4-yl)propan-2-one is CCC(C)NCC(=O)Cc1cnn(CC)c1.
What is the InChIKey of 1-(butan-2-ylamino)-3-(1-ethylpyrazol-4-yl)propan-2-one?
The InChIKey is NOGAWCZYABSEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-4-10(3)13-8-12(16)6-11-7-14-15(5-2)9-11/h7,9-10,13H,4-6,8H2,1-3H3.
What are the key properties of 1-(butan-2-ylamino)-3-(1-ethylpyrazol-4-yl)propan-2-one?
1-(butan-2-ylamino)-3-(1-ethylpyrazol-4-yl)propan-2-one has a molecular weight of 223.32 g/mol, XLogP of 1.40, 7 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-ethylpyrazol-4-yl)propan-2-one is sourced from PubChem (CID 116556301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).