(4-bromo-1-ethylpyrazol-5-yl)-(3-methylpyrrolidin-3-yl)methanone

C11H16BrN3O — CID 114669209

IUPAC(4-bromo-1-ethylpyrazol-5-yl)-(3-methylpyrrolidin-3-yl)methanone
SMILESCCn1ncc(Br)c1C(=O)C1(C)CCNC1
InChIInChI=1S/C11H16BrN3O/c1-3-15-9(8(12)6-14-15)10(16)11(2)4-5-13-7-11/h6,13H,3-5,7H2,1-2H3
InChIKeyJGDZFICOUHOYEF-UHFFFAOYSA-N
MW286.17 g/mol
LogP1.85
Rot. Bonds3

About (4-bromo-1-ethylpyrazol-5-yl)-(3-methylpyrrolidin-3-yl)methanone

(4-bromo-1-ethylpyrazol-5-yl)-(3-methylpyrrolidin-3-yl)methanone (PubChem CID 114669209) has the molecular formula C11H16BrN3O and a molecular weight of 286.17 g/mol. Its IUPAC name is (4-bromo-1-ethylpyrazol-5-yl)-(3-methylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name(4-bromo-1-ethylpyrazol-5-yl)-(3-methylpyrrolidin-3-yl)methanone
PubChem CID114669209
Molecular FormulaC11H16BrN3O
Molecular Weight286.17 g/mol
Exact Mass285.05
IUPAC Name(4-bromo-1-ethylpyrazol-5-yl)-(3-methylpyrrolidin-3-yl)methanone
SMILESCCn1ncc(Br)c1C(=O)C1(C)CCNC1
InChIInChI=1S/C11H16BrN3O/c1-3-15-9(8(12)6-14-15)10(16)11(2)4-5-13-7-11/h6,13H,3-5,7H2,1-2H3
InChIKeyJGDZFICOUHOYEF-UHFFFAOYSA-N
XLogP1.85
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-bromo-1-propylpyrazol-5-yl)-(3-methylpyrrolidin-3-yl)methanone
CID 114669204
(4-bromo-1-propylpyrazol-5-yl)-(4-propylpiperidin-4-yl)methanone
CID 114669166
[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(1-methylcyclopentyl)methanone
CID 115804119
(4-bromo-1-propylpyrazol-5-yl)-(3-propylpiperidin-3-yl)methanone
CID 114669191
(4-bromo-1-ethylpyrazol-5-yl)-(1-morpholin-4-ylcyclopentyl)methanone
CID 114641249
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(1-methylcyclopropyl)methanone
CID 114641724
(4-chloro-1-ethylpyrazol-5-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 114669350
(1-ethyl-4-methoxypyrazol-5-yl)-(3-ethylpyrrolidin-3-yl)methanone
CID 114669215
(4-chloro-1-propylpyrazol-5-yl)-(3-methylpiperidin-3-yl)methanone
CID 114669182
3-bicyclo[3.1.0]hexanyl-(4-bromo-1-ethylpyrazol-5-yl)methanone
CID 115803497
(2-ethylpyrazol-3-yl)-(4-methylpiperidin-4-yl)methanone
CID 116567524
1-(4-bromo-1-ethylpyrazol-5-yl)-2-methyl-2-piperidin-3-ylpropan-1-one
CID 114671182

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-ethylpyrazol-5-yl)-(3-methylpyrrolidin-3-yl)methanone?
The IUPAC name of (4-bromo-1-ethylpyrazol-5-yl)-(3-methylpyrrolidin-3-yl)methanone (CID 114669209) is (4-bromo-1-ethylpyrazol-5-yl)-(3-methylpyrrolidin-3-yl)methanone.
What is the SMILES notation for (4-bromo-1-ethylpyrazol-5-yl)-(3-methylpyrrolidin-3-yl)methanone?
The canonical SMILES for (4-bromo-1-ethylpyrazol-5-yl)-(3-methylpyrrolidin-3-yl)methanone is CCn1ncc(Br)c1C(=O)C1(C)CCNC1.
What is the InChIKey of (4-bromo-1-ethylpyrazol-5-yl)-(3-methylpyrrolidin-3-yl)methanone?
The InChIKey is JGDZFICOUHOYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O/c1-3-15-9(8(12)6-14-15)10(16)11(2)4-5-13-7-11/h6,13H,3-5,7H2,1-2H3.
What are the key properties of (4-bromo-1-ethylpyrazol-5-yl)-(3-methylpyrrolidin-3-yl)methanone?
(4-bromo-1-ethylpyrazol-5-yl)-(3-methylpyrrolidin-3-yl)methanone has a molecular weight of 286.17 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-ethylpyrazol-5-yl)-(3-methylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 114669209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).