1-(4-bromo-1-propylpyrazol-5-yl)-2-(dimethylamino)ethanone

C10H16BrN3O — CID 114641322

IUPAC1-(4-bromo-1-propylpyrazol-5-yl)-2-(dimethylamino)ethanone
SMILESCCCn1ncc(Br)c1C(=O)CN(C)C
InChIInChI=1S/C10H16BrN3O/c1-4-5-14-10(8(11)6-12-14)9(15)7-13(2)3/h6H,4-5,7H2,1-3H3
InChIKeyQNSPDIHSKGKCNC-UHFFFAOYSA-N
MW274.16 g/mol
LogP1.80
Rot. Bonds5

About 1-(4-bromo-1-propylpyrazol-5-yl)-2-(dimethylamino)ethanone

1-(4-bromo-1-propylpyrazol-5-yl)-2-(dimethylamino)ethanone (PubChem CID 114641322) has the molecular formula C10H16BrN3O and a molecular weight of 274.16 g/mol. Its IUPAC name is 1-(4-bromo-1-propylpyrazol-5-yl)-2-(dimethylamino)ethanone.

Molecular Properties

Compound Name1-(4-bromo-1-propylpyrazol-5-yl)-2-(dimethylamino)ethanone
PubChem CID114641322
Molecular FormulaC10H16BrN3O
Molecular Weight274.16 g/mol
Exact Mass273.05
IUPAC Name1-(4-bromo-1-propylpyrazol-5-yl)-2-(dimethylamino)ethanone
SMILESCCCn1ncc(Br)c1C(=O)CN(C)C
InChIInChI=1S/C10H16BrN3O/c1-4-5-14-10(8(11)6-12-14)9(15)7-13(2)3/h6H,4-5,7H2,1-3H3
InChIKeyQNSPDIHSKGKCNC-UHFFFAOYSA-N
XLogP1.80
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromo-1-propylpyrazol-5-yl)-2-(ethylamino)ethanone
CID 114668844
1-(4-bromo-1-propylpyrazol-5-yl)but-3-en-1-one
CID 114642443
1-(4-bromo-1-propylpyrazol-5-yl)-2-(1,3-dioxolan-2-yl)ethanone
CID 103543836
3-amino-1-(4-bromo-1-propylpyrazol-5-yl)pentan-1-one
CID 114671080
2-(4-bromophenyl)-1-(4-bromo-1-propylpyrazol-5-yl)ethanone
CID 114638949
2-anilino-1-(4-bromo-1-propylpyrazol-5-yl)ethanone
CID 114668471
(4-bromo-1-propylpyrazol-5-yl)-[4-(dimethylamino)phenyl]methanone
CID 105130506
2-(4-bromophenyl)sulfanyl-1-(4-bromo-1-propylpyrazol-5-yl)ethanone
CID 114640903
1-(4-bromo-1-propylpyrazol-5-yl)-3-(tert-butylamino)propan-1-one
CID 114668606
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-3-propoxypropan-1-one
CID 105130446
(E)-1-(4-bromo-1-propylpyrazol-5-yl)but-2-en-1-one
CID 103453393
1-(4-bromo-1-propylpyrazol-5-yl)-3-methylbut-2-en-1-one
CID 103455565

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-propylpyrazol-5-yl)-2-(dimethylamino)ethanone?
The IUPAC name of 1-(4-bromo-1-propylpyrazol-5-yl)-2-(dimethylamino)ethanone (CID 114641322) is 1-(4-bromo-1-propylpyrazol-5-yl)-2-(dimethylamino)ethanone.
What is the SMILES notation for 1-(4-bromo-1-propylpyrazol-5-yl)-2-(dimethylamino)ethanone?
The canonical SMILES for 1-(4-bromo-1-propylpyrazol-5-yl)-2-(dimethylamino)ethanone is CCCn1ncc(Br)c1C(=O)CN(C)C.
What is the InChIKey of 1-(4-bromo-1-propylpyrazol-5-yl)-2-(dimethylamino)ethanone?
The InChIKey is QNSPDIHSKGKCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O/c1-4-5-14-10(8(11)6-12-14)9(15)7-13(2)3/h6H,4-5,7H2,1-3H3.
What are the key properties of 1-(4-bromo-1-propylpyrazol-5-yl)-2-(dimethylamino)ethanone?
1-(4-bromo-1-propylpyrazol-5-yl)-2-(dimethylamino)ethanone has a molecular weight of 274.16 g/mol, XLogP of 1.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-propylpyrazol-5-yl)-2-(dimethylamino)ethanone is sourced from PubChem (CID 114641322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).