2-chloro-1-(3-methoxy-4-pyrazol-1-ylpyrrolidin-1-yl)ethanone

C10H14ClN3O2 — CID 121204047

IUPAC2-chloro-1-(3-methoxy-4-pyrazol-1-ylpyrrolidin-1-yl)ethanone
SMILESCOC1CN(C(=O)CCl)CC1n1cccn1
InChIInChI=1S/C10H14ClN3O2/c1-16-9-7-13(10(15)5-11)6-8(9)14-4-2-3-12-14/h2-4,8-9H,5-7H2,1H3
InChIKeyWHKCSBVPQURIFA-UHFFFAOYSA-N
MW243.69 g/mol
LogP0.52
Rot. Bonds3

About 2-chloro-1-(3-methoxy-4-pyrazol-1-ylpyrrolidin-1-yl)ethanone

2-chloro-1-(3-methoxy-4-pyrazol-1-ylpyrrolidin-1-yl)ethanone (PubChem CID 121204047) has the molecular formula C10H14ClN3O2 and a molecular weight of 243.69 g/mol. Its IUPAC name is 2-chloro-1-(3-methoxy-4-pyrazol-1-ylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2-chloro-1-(3-methoxy-4-pyrazol-1-ylpyrrolidin-1-yl)ethanone
PubChem CID121204047
Molecular FormulaC10H14ClN3O2
Molecular Weight243.69 g/mol
Exact Mass243.08
IUPAC Name2-chloro-1-(3-methoxy-4-pyrazol-1-ylpyrrolidin-1-yl)ethanone
SMILESCOC1CN(C(=O)CCl)CC1n1cccn1
InChIInChI=1S/C10H14ClN3O2/c1-16-9-7-13(10(15)5-11)6-8(9)14-4-2-3-12-14/h2-4,8-9H,5-7H2,1H3
InChIKeyWHKCSBVPQURIFA-UHFFFAOYSA-N
XLogP0.52
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-chloro-1-(3-methoxy-4-pyrazol-1-ylpyrrolidin-1-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(3-methoxy-4-pyrazol-1-ylpyrrolidin-1-yl)ethanone?
The IUPAC name of 2-chloro-1-(3-methoxy-4-pyrazol-1-ylpyrrolidin-1-yl)ethanone (CID 121204047) is 2-chloro-1-(3-methoxy-4-pyrazol-1-ylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2-chloro-1-(3-methoxy-4-pyrazol-1-ylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 2-chloro-1-(3-methoxy-4-pyrazol-1-ylpyrrolidin-1-yl)ethanone is COC1CN(C(=O)CCl)CC1n1cccn1.
What is the InChIKey of 2-chloro-1-(3-methoxy-4-pyrazol-1-ylpyrrolidin-1-yl)ethanone?
The InChIKey is WHKCSBVPQURIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2/c1-16-9-7-13(10(15)5-11)6-8(9)14-4-2-3-12-14/h2-4,8-9H,5-7H2,1H3.
What are the key properties of 2-chloro-1-(3-methoxy-4-pyrazol-1-ylpyrrolidin-1-yl)ethanone?
2-chloro-1-(3-methoxy-4-pyrazol-1-ylpyrrolidin-1-yl)ethanone has a molecular weight of 243.69 g/mol, XLogP of 0.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(3-methoxy-4-pyrazol-1-ylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 121204047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).