4-chloro-1-[2-(3-chlorophenoxy)ethyl]pyrazole

C11H10Cl2N2O — CID 52731677

IUPAC4-chloro-1-[2-(3-chlorophenoxy)ethyl]pyrazole
SMILESClc1cccc(OCCn2cc(Cl)cn2)c1
InChIInChI=1S/C11H10Cl2N2O/c12-9-2-1-3-11(6-9)16-5-4-15-8-10(13)7-14-15/h1-3,6-8H,4-5H2
InChIKeyIBFFSJAXUSVGJC-UHFFFAOYSA-N
MW257.12 g/mol
LogP3.27
Rot. Bonds4

About 4-chloro-1-[2-(3-chlorophenoxy)ethyl]pyrazole

4-chloro-1-[2-(3-chlorophenoxy)ethyl]pyrazole (PubChem CID 52731677) has the molecular formula C11H10Cl2N2O and a molecular weight of 257.12 g/mol. Its IUPAC name is 4-chloro-1-[2-(3-chlorophenoxy)ethyl]pyrazole.

Molecular Properties

Compound Name4-chloro-1-[2-(3-chlorophenoxy)ethyl]pyrazole
PubChem CID52731677
Molecular FormulaC11H10Cl2N2O
Molecular Weight257.12 g/mol
Exact Mass256.02
IUPAC Name4-chloro-1-[2-(3-chlorophenoxy)ethyl]pyrazole
SMILESClc1cccc(OCCn2cc(Cl)cn2)c1
InChIInChI=1S/C11H10Cl2N2O/c12-9-2-1-3-11(6-9)16-5-4-15-8-10(13)7-14-15/h1-3,6-8H,4-5H2
InChIKeyIBFFSJAXUSVGJC-UHFFFAOYSA-N
XLogP3.27
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.12
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-chloro-1-[2-(3-chlorophenoxy)ethyl]pyrazole with MolForge

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

Launch Full Analysis

Related Compounds

1-[(3-chlorophenoxy)methyl]pyrazol-4-amine
CID 7017255
1-[2-(3-chlorophenoxy)ethyl]triazole-4-carbaldehyde
CID 66215814
4-(2-chloroethyl)-1-[2-(3-chlorophenoxy)ethyl]triazole
CID 62401195
1-[2-(2-bromophenoxy)ethyl]-4-chloropyrazole
CID 169336743
4-[2-(4-chloropyrazol-1-yl)ethoxy]benzohydrazide
CID 55214069
N-[[4-[2-(4-chloropyrazol-1-yl)ethoxy]phenyl]methyl]ethanamine
CID 55073469
1-[2-(3-bromophenoxy)ethyl]pyrazol-4-ol
CID 116799367
3-[4-(3-chlorophenoxy)pyrazol-1-yl]propan-1-amine
CID 115055461
3-[1-[2-(3-chlorophenoxy)ethyl]triazol-4-yl]propanoic acid
CID 107460606
N-[2-(4-aminopyrazol-1-yl)ethyl]-2-(3-chlorophenoxy)acetamide
CID 115319643
1-chloro-3-(3-phenoxypropoxy)benzene
CID 60665433
N-[[1-[2-(3-chlorophenoxy)ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 62460816

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[2-(3-chlorophenoxy)ethyl]pyrazole?
The IUPAC name of 4-chloro-1-[2-(3-chlorophenoxy)ethyl]pyrazole (CID 52731677) is 4-chloro-1-[2-(3-chlorophenoxy)ethyl]pyrazole.
What is the SMILES notation for 4-chloro-1-[2-(3-chlorophenoxy)ethyl]pyrazole?
The canonical SMILES for 4-chloro-1-[2-(3-chlorophenoxy)ethyl]pyrazole is Clc1cccc(OCCn2cc(Cl)cn2)c1.
What is the InChIKey of 4-chloro-1-[2-(3-chlorophenoxy)ethyl]pyrazole?
The InChIKey is IBFFSJAXUSVGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2O/c12-9-2-1-3-11(6-9)16-5-4-15-8-10(13)7-14-15/h1-3,6-8H,4-5H2.
What are the key properties of 4-chloro-1-[2-(3-chlorophenoxy)ethyl]pyrazole?
4-chloro-1-[2-(3-chlorophenoxy)ethyl]pyrazole has a molecular weight of 257.12 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[2-(3-chlorophenoxy)ethyl]pyrazole is sourced from PubChem (CID 52731677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).