(4-bromo-1-methylpyrazol-5-yl)-(2-methylpyrrolidin-3-yl)methanone

C10H14BrN3O — CID 114670272

IUPAC(4-bromo-1-methylpyrazol-5-yl)-(2-methylpyrrolidin-3-yl)methanone
SMILESCC1NCCC1C(=O)c1c(Br)cnn1C
InChIInChI=1S/C10H14BrN3O/c1-6-7(3-4-12-6)10(15)9-8(11)5-13-14(9)2/h5-7,12H,3-4H2,1-2H3
InChIKeyTUKYNINJXOGBIY-UHFFFAOYSA-N
MW272.15 g/mol
LogP1.36
Rot. Bonds2

About (4-bromo-1-methylpyrazol-5-yl)-(2-methylpyrrolidin-3-yl)methanone

(4-bromo-1-methylpyrazol-5-yl)-(2-methylpyrrolidin-3-yl)methanone (PubChem CID 114670272) has the molecular formula C10H14BrN3O and a molecular weight of 272.15 g/mol. Its IUPAC name is (4-bromo-1-methylpyrazol-5-yl)-(2-methylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name(4-bromo-1-methylpyrazol-5-yl)-(2-methylpyrrolidin-3-yl)methanone
PubChem CID114670272
Molecular FormulaC10H14BrN3O
Molecular Weight272.15 g/mol
Exact Mass271.03
IUPAC Name(4-bromo-1-methylpyrazol-5-yl)-(2-methylpyrrolidin-3-yl)methanone
SMILESCC1NCCC1C(=O)c1c(Br)cnn1C
InChIInChI=1S/C10H14BrN3O/c1-6-7(3-4-12-6)10(15)9-8(11)5-13-14(9)2/h5-7,12H,3-4H2,1-2H3
InChIKeyTUKYNINJXOGBIY-UHFFFAOYSA-N
XLogP1.36
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.15
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-bromo-1-methylpyrazol-5-yl)-(thiolan-2-yl)methanone
CID 114641811
(4-bromo-1-methylpyrazol-5-yl)-(5-methyloxolan-3-yl)methanone
CID 115814808
1-(4-bromo-1-methylpyrazol-5-yl)-2-piperidin-4-ylethanone
CID 114668710
(4-bromo-1-methylpyrazol-5-yl)-[(3R,5R)-3,5-dimethylpiperidin-1-yl]methanone
CID 35762905
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(4-bromo-1-methylpyrazol-5-yl)methanone
CID 114640383
(3-ethyltriazol-4-yl)-(2-methylpyrrolidin-3-yl)methanone
CID 130484446
(2-methylpyrrolidin-3-yl)-(1H-pyrrol-2-yl)methanone
CID 130527867
1-(4-bromo-1-methylpyrazol-5-yl)-3,3-dimethylbutan-1-one
CID 114640173
(2R,3R)-2-methylpyrrolidine-3-carboxylic acid
CID 10887930
3-(2-methylpyrazol-3-yl)-1-(2-methylpyrrolidin-3-yl)propan-1-one
CID 103023936
(4-bromo-1-methylpyrazol-5-yl)-(1-methoxy-4,4-dimethylcyclohexyl)methanone
CID 114642817
N-(5-bromo-6-chloro-3-pyridinyl)-2-methylpyrrolidine-3-carboxamide
CID 114050445

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-methylpyrazol-5-yl)-(2-methylpyrrolidin-3-yl)methanone?
The IUPAC name of (4-bromo-1-methylpyrazol-5-yl)-(2-methylpyrrolidin-3-yl)methanone (CID 114670272) is (4-bromo-1-methylpyrazol-5-yl)-(2-methylpyrrolidin-3-yl)methanone.
What is the SMILES notation for (4-bromo-1-methylpyrazol-5-yl)-(2-methylpyrrolidin-3-yl)methanone?
The canonical SMILES for (4-bromo-1-methylpyrazol-5-yl)-(2-methylpyrrolidin-3-yl)methanone is CC1NCCC1C(=O)c1c(Br)cnn1C.
What is the InChIKey of (4-bromo-1-methylpyrazol-5-yl)-(2-methylpyrrolidin-3-yl)methanone?
The InChIKey is TUKYNINJXOGBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O/c1-6-7(3-4-12-6)10(15)9-8(11)5-13-14(9)2/h5-7,12H,3-4H2,1-2H3.
What are the key properties of (4-bromo-1-methylpyrazol-5-yl)-(2-methylpyrrolidin-3-yl)methanone?
(4-bromo-1-methylpyrazol-5-yl)-(2-methylpyrrolidin-3-yl)methanone has a molecular weight of 272.15 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-methylpyrazol-5-yl)-(2-methylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 114670272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).