[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone

C11H16ClN3O — CID 102786708

IUPAC[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCC1CCN(C(=O)c2ccnn2C)C1CCl
InChIInChI=1S/C11H16ClN3O/c1-8-4-6-15(10(8)7-12)11(16)9-3-5-13-14(9)2/h3,5,8,10H,4,6-7H2,1-2H3
InChIKeyZAKSSLVFVSEEDW-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.51
Rot. Bonds2

About [2-(chloromethyl)-3-methylpyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone

[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone (PubChem CID 102786708) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is [2-(chloromethyl)-3-methylpyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone
PubChem CID102786708
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCC1CCN(C(=O)c2ccnn2C)C1CCl
InChIInChI=1S/C11H16ClN3O/c1-8-4-6-15(10(8)7-12)11(16)9-3-5-13-14(9)2/h3,5,8,10H,4,6-7H2,1-2H3
InChIKeyZAKSSLVFVSEEDW-UHFFFAOYSA-N
XLogP1.51
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(chloromethyl)-3-methylpyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The IUPAC name of [2-(chloromethyl)-3-methylpyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone (CID 102786708) is [2-(chloromethyl)-3-methylpyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [2-(chloromethyl)-3-methylpyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The canonical SMILES for [2-(chloromethyl)-3-methylpyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone is CC1CCN(C(=O)c2ccnn2C)C1CCl.
What is the InChIKey of [2-(chloromethyl)-3-methylpyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The InChIKey is ZAKSSLVFVSEEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-8-4-6-15(10(8)7-12)11(16)9-3-5-13-14(9)2/h3,5,8,10H,4,6-7H2,1-2H3.
What are the key properties of [2-(chloromethyl)-3-methylpyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone has a molecular weight of 241.72 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(chloromethyl)-3-methylpyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 102786708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).