4-[chloro-(3-chlorothiophen-2-yl)methyl]-1-phenylpyrazole

C14H10Cl2N2S — CID 80641516

IUPAC4-[chloro-(3-chlorothiophen-2-yl)methyl]-1-phenylpyrazole
SMILESClc1ccsc1C(Cl)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C14H10Cl2N2S/c15-12-6-7-19-14(12)13(16)10-8-17-18(9-10)11-4-2-1-3-5-11/h1-9,13H
InChIKeyGOXHSMZOSGSPFJ-UHFFFAOYSA-N
MW309.22 g/mol
LogP4.92
Rot. Bonds3

About 4-[chloro-(3-chlorothiophen-2-yl)methyl]-1-phenylpyrazole

4-[chloro-(3-chlorothiophen-2-yl)methyl]-1-phenylpyrazole (PubChem CID 80641516) has the molecular formula C14H10Cl2N2S and a molecular weight of 309.22 g/mol. Its IUPAC name is 4-[chloro-(3-chlorothiophen-2-yl)methyl]-1-phenylpyrazole.

Molecular Properties

Compound Name4-[chloro-(3-chlorothiophen-2-yl)methyl]-1-phenylpyrazole
PubChem CID80641516
Molecular FormulaC14H10Cl2N2S
Molecular Weight309.22 g/mol
Exact Mass307.99
IUPAC Name4-[chloro-(3-chlorothiophen-2-yl)methyl]-1-phenylpyrazole
SMILESClc1ccsc1C(Cl)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C14H10Cl2N2S/c15-12-6-7-19-14(12)13(16)10-8-17-18(9-10)11-4-2-1-3-5-11/h1-9,13H
InChIKeyGOXHSMZOSGSPFJ-UHFFFAOYSA-N
XLogP4.92
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.22
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[chloro-(3-chlorothiophen-2-yl)methyl]-1-phenylpyrazole 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 4-[chloro-(3-chlorothiophen-2-yl)methyl]-1-phenylpyrazole?
The IUPAC name of 4-[chloro-(3-chlorothiophen-2-yl)methyl]-1-phenylpyrazole (CID 80641516) is 4-[chloro-(3-chlorothiophen-2-yl)methyl]-1-phenylpyrazole.
What is the SMILES notation for 4-[chloro-(3-chlorothiophen-2-yl)methyl]-1-phenylpyrazole?
The canonical SMILES for 4-[chloro-(3-chlorothiophen-2-yl)methyl]-1-phenylpyrazole is Clc1ccsc1C(Cl)c1cnn(-c2ccccc2)c1.
What is the InChIKey of 4-[chloro-(3-chlorothiophen-2-yl)methyl]-1-phenylpyrazole?
The InChIKey is GOXHSMZOSGSPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2S/c15-12-6-7-19-14(12)13(16)10-8-17-18(9-10)11-4-2-1-3-5-11/h1-9,13H.
What are the key properties of 4-[chloro-(3-chlorothiophen-2-yl)methyl]-1-phenylpyrazole?
4-[chloro-(3-chlorothiophen-2-yl)methyl]-1-phenylpyrazole has a molecular weight of 309.22 g/mol, XLogP of 4.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[chloro-(3-chlorothiophen-2-yl)methyl]-1-phenylpyrazole is sourced from PubChem (CID 80641516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).