1-(4-methoxy-1-methylpyrazol-5-yl)-2-pyrrolidin-3-ylethanone

C11H17N3O2 — CID 114669849

IUPAC1-(4-methoxy-1-methylpyrazol-5-yl)-2-pyrrolidin-3-ylethanone
SMILESCOc1cnn(C)c1C(=O)CC1CCNC1
InChIInChI=1S/C11H17N3O2/c1-14-11(10(16-2)7-13-14)9(15)5-8-3-4-12-6-8/h7-8,12H,3-6H2,1-2H3
InChIKeyXIAKXAFSTUZLKA-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.61
Rot. Bonds4

About 1-(4-methoxy-1-methylpyrazol-5-yl)-2-pyrrolidin-3-ylethanone

1-(4-methoxy-1-methylpyrazol-5-yl)-2-pyrrolidin-3-ylethanone (PubChem CID 114669849) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-(4-methoxy-1-methylpyrazol-5-yl)-2-pyrrolidin-3-ylethanone.

Molecular Properties

Compound Name1-(4-methoxy-1-methylpyrazol-5-yl)-2-pyrrolidin-3-ylethanone
PubChem CID114669849
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name1-(4-methoxy-1-methylpyrazol-5-yl)-2-pyrrolidin-3-ylethanone
SMILESCOc1cnn(C)c1C(=O)CC1CCNC1
InChIInChI=1S/C11H17N3O2/c1-14-11(10(16-2)7-13-14)9(15)5-8-3-4-12-6-8/h7-8,12H,3-6H2,1-2H3
InChIKeyXIAKXAFSTUZLKA-UHFFFAOYSA-N
XLogP0.61
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methoxy-1-methylpyrazol-5-yl)-2-piperidin-4-yloxyethanone
CID 114669257
1-(4-bromo-1-methylpyrazol-5-yl)-2-piperidin-4-ylethanone
CID 114668710
1-(4-methoxy-1-methylpyrazol-5-yl)-2-piperazin-1-ylethanone
CID 114668690
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3-piperidin-3-ylpropan-1-one
CID 114668828
(4-methoxy-1-methylpyrazol-5-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
CID 114668702
4-methoxy-1-methylpyrazole-5-carboxylic acid
CID 46398720
1-(4-methoxy-1-methylpyrazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 105132702
6-bicyclo[3.1.0]hexanyl-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 115809767
1-(4-methoxy-1-methylpyrazol-5-yl)-2-propan-2-yloxyethanone
CID 105132749
2-(4-fluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanone
CID 114639081
1-(3-bromo-4-methoxyphenyl)-2-pyrrolidin-3-ylethanone
CID 116917050
1-(2,4-dimethoxy-3-methylphenyl)-2-pyrrolidin-3-ylethanone
CID 116917076

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-1-methylpyrazol-5-yl)-2-pyrrolidin-3-ylethanone?
The IUPAC name of 1-(4-methoxy-1-methylpyrazol-5-yl)-2-pyrrolidin-3-ylethanone (CID 114669849) is 1-(4-methoxy-1-methylpyrazol-5-yl)-2-pyrrolidin-3-ylethanone.
What is the SMILES notation for 1-(4-methoxy-1-methylpyrazol-5-yl)-2-pyrrolidin-3-ylethanone?
The canonical SMILES for 1-(4-methoxy-1-methylpyrazol-5-yl)-2-pyrrolidin-3-ylethanone is COc1cnn(C)c1C(=O)CC1CCNC1.
What is the InChIKey of 1-(4-methoxy-1-methylpyrazol-5-yl)-2-pyrrolidin-3-ylethanone?
The InChIKey is XIAKXAFSTUZLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-14-11(10(16-2)7-13-14)9(15)5-8-3-4-12-6-8/h7-8,12H,3-6H2,1-2H3.
What are the key properties of 1-(4-methoxy-1-methylpyrazol-5-yl)-2-pyrrolidin-3-ylethanone?
1-(4-methoxy-1-methylpyrazol-5-yl)-2-pyrrolidin-3-ylethanone has a molecular weight of 223.28 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-1-methylpyrazol-5-yl)-2-pyrrolidin-3-ylethanone is sourced from PubChem (CID 114669849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).