1-(dimethylamino)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-one

C13H23N3O — CID 79078114

IUPAC1-(dimethylamino)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-one
SMILESCCC(CC)n1ccc(CC(=O)CN(C)C)n1
InChIInChI=1S/C13H23N3O/c1-5-12(6-2)16-8-7-11(14-16)9-13(17)10-15(3)4/h7-8,12H,5-6,9-10H2,1-4H3
InChIKeyURTBFOSVNWILPG-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.92
Rot. Bonds7

About 1-(dimethylamino)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-one

1-(dimethylamino)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-one (PubChem CID 79078114) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-(dimethylamino)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-one.

Molecular Properties

Compound Name1-(dimethylamino)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-one
PubChem CID79078114
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name1-(dimethylamino)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-one
SMILESCCC(CC)n1ccc(CC(=O)CN(C)C)n1
InChIInChI=1S/C13H23N3O/c1-5-12(6-2)16-8-7-11(14-16)9-13(17)10-15(3)4/h7-8,12H,5-6,9-10H2,1-4H3
InChIKeyURTBFOSVNWILPG-UHFFFAOYSA-N
XLogP1.92
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-butan-2-ylpyrazol-3-yl)-3-(dimethylamino)propan-2-one
CID 79078118
4-amino-1-(1-pentan-3-ylpyrazol-3-yl)hexan-2-one
CID 116609163
1-(1-pentan-3-ylpyrazol-3-yl)octan-2-one
CID 114976201
4-methoxy-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-one
CID 64783167
1-(1-pentan-3-ylpyrazol-3-yl)decan-2-one
CID 114976149
1-(2-chlorophenyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-one
CID 64783360
1-[5-(aminomethyl)furan-2-yl]-2-(1-pentan-3-ylpyrazol-3-yl)ethanone
CID 116590162
1-(1-pentan-3-ylpyrazol-3-yl)-5-(propan-2-ylamino)pentan-2-one
CID 116558310
3-amino-3-ethyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-one
CID 116592810
1-(cyclohexen-1-yl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-one
CID 116659647
7-amino-5,5-dimethyl-1-(1-pentan-3-ylpyrazol-3-yl)heptan-2-one
CID 116574945
3-amino-3-methyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-one
CID 116590478

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-one?
The IUPAC name of 1-(dimethylamino)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-one (CID 79078114) is 1-(dimethylamino)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-one.
What is the SMILES notation for 1-(dimethylamino)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-one?
The canonical SMILES for 1-(dimethylamino)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-one is CCC(CC)n1ccc(CC(=O)CN(C)C)n1.
What is the InChIKey of 1-(dimethylamino)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-one?
The InChIKey is URTBFOSVNWILPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-5-12(6-2)16-8-7-11(14-16)9-13(17)10-15(3)4/h7-8,12H,5-6,9-10H2,1-4H3.
What are the key properties of 1-(dimethylamino)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-one?
1-(dimethylamino)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-one has a molecular weight of 237.35 g/mol, XLogP of 1.92, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-one is sourced from PubChem (CID 79078114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).