3-(2-methylpyrazol-3-yl)-1-(2-methylpyrrolidin-3-yl)propan-1-one

C12H19N3O — CID 103023936

IUPAC3-(2-methylpyrazol-3-yl)-1-(2-methylpyrrolidin-3-yl)propan-1-one
SMILESCC1NCCC1C(=O)CCc1ccnn1C
InChIInChI=1S/C12H19N3O/c1-9-11(6-7-13-9)12(16)4-3-10-5-8-14-15(10)2/h5,8-9,11,13H,3-4,6-7H2,1-2H3
InChIKeyFHXYQPIJMJLWFY-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.92
Rot. Bonds4

About 3-(2-methylpyrazol-3-yl)-1-(2-methylpyrrolidin-3-yl)propan-1-one

3-(2-methylpyrazol-3-yl)-1-(2-methylpyrrolidin-3-yl)propan-1-one (PubChem CID 103023936) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-(2-methylpyrazol-3-yl)-1-(2-methylpyrrolidin-3-yl)propan-1-one.

Molecular Properties

Compound Name3-(2-methylpyrazol-3-yl)-1-(2-methylpyrrolidin-3-yl)propan-1-one
PubChem CID103023936
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3-(2-methylpyrazol-3-yl)-1-(2-methylpyrrolidin-3-yl)propan-1-one
SMILESCC1NCCC1C(=O)CCc1ccnn1C
InChIInChI=1S/C12H19N3O/c1-9-11(6-7-13-9)12(16)4-3-10-5-8-14-15(10)2/h5,8-9,11,13H,3-4,6-7H2,1-2H3
InChIKeyFHXYQPIJMJLWFY-UHFFFAOYSA-N
XLogP0.92
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bicyclo[3.1.0]hexanyl)-3-(2-methylpyrazol-3-yl)propan-1-one
CID 103024286
1-cyclohexyl-4-(2-methylpyrazol-3-yl)butan-2-one
CID 103024333
3-(2-methylpyrazol-3-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-one
CID 103007449
1-[(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-3-(2-methylpyrazol-3-yl)propan-1-one;hydrochloride
CID 154900676
1-(2-methylpyrazol-3-yl)-4-methylsulfonylpentan-3-one
CID 103024265
1-cyclopropyl-1-ethoxy-4-(2-methylpyrazol-3-yl)butan-2-one
CID 103007918
4-methyl-2-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexane-1-carboxylic acid
CID 103019597
1-(2-methylpyrazol-3-yl)-5-piperidin-3-ylhexan-3-one
CID 103023956
1-bromo-7-(2-methylpyrazol-3-yl)heptan-4-one
CID 106798885
4-ethyl-1-(2-methylpyrazol-3-yl)hexan-3-one
CID 103024188
2-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 104693313
2-cyclopropyl-2-[3-(2-methylpyrazol-3-yl)propanoylamino]acetic acid
CID 120521290

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpyrazol-3-yl)-1-(2-methylpyrrolidin-3-yl)propan-1-one?
The IUPAC name of 3-(2-methylpyrazol-3-yl)-1-(2-methylpyrrolidin-3-yl)propan-1-one (CID 103023936) is 3-(2-methylpyrazol-3-yl)-1-(2-methylpyrrolidin-3-yl)propan-1-one.
What is the SMILES notation for 3-(2-methylpyrazol-3-yl)-1-(2-methylpyrrolidin-3-yl)propan-1-one?
The canonical SMILES for 3-(2-methylpyrazol-3-yl)-1-(2-methylpyrrolidin-3-yl)propan-1-one is CC1NCCC1C(=O)CCc1ccnn1C.
What is the InChIKey of 3-(2-methylpyrazol-3-yl)-1-(2-methylpyrrolidin-3-yl)propan-1-one?
The InChIKey is FHXYQPIJMJLWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9-11(6-7-13-9)12(16)4-3-10-5-8-14-15(10)2/h5,8-9,11,13H,3-4,6-7H2,1-2H3.
What are the key properties of 3-(2-methylpyrazol-3-yl)-1-(2-methylpyrrolidin-3-yl)propan-1-one?
3-(2-methylpyrazol-3-yl)-1-(2-methylpyrrolidin-3-yl)propan-1-one has a molecular weight of 221.30 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpyrazol-3-yl)-1-(2-methylpyrrolidin-3-yl)propan-1-one is sourced from PubChem (CID 103023936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).