4-[5-chloro-4-(chloromethyl)-3-ethylpyrazol-1-yl]pyridine

C11H11Cl2N3 — CID 43543145

IUPAC4-[5-chloro-4-(chloromethyl)-3-ethylpyrazol-1-yl]pyridine
SMILESCCc1nn(-c2ccncc2)c(Cl)c1CCl
InChIInChI=1S/C11H11Cl2N3/c1-2-10-9(7-12)11(13)16(15-10)8-3-5-14-6-4-8/h3-6H,2,7H2,1H3
InChIKeyZTCXGUCABCMALA-UHFFFAOYSA-N
MW256.14 g/mol
LogP3.22
Rot. Bonds3

About 4-[5-chloro-4-(chloromethyl)-3-ethylpyrazol-1-yl]pyridine

4-[5-chloro-4-(chloromethyl)-3-ethylpyrazol-1-yl]pyridine (PubChem CID 43543145) has the molecular formula C11H11Cl2N3 and a molecular weight of 256.14 g/mol. Its IUPAC name is 4-[5-chloro-4-(chloromethyl)-3-ethylpyrazol-1-yl]pyridine.

Molecular Properties

Compound Name4-[5-chloro-4-(chloromethyl)-3-ethylpyrazol-1-yl]pyridine
PubChem CID43543145
Molecular FormulaC11H11Cl2N3
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name4-[5-chloro-4-(chloromethyl)-3-ethylpyrazol-1-yl]pyridine
SMILESCCc1nn(-c2ccncc2)c(Cl)c1CCl
InChIInChI=1S/C11H11Cl2N3/c1-2-10-9(7-12)11(13)16(15-10)8-3-5-14-6-4-8/h3-6H,2,7H2,1H3
InChIKeyZTCXGUCABCMALA-UHFFFAOYSA-N
XLogP3.22
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[5-chloro-4-(chloromethyl)-3-ethylpyrazol-1-yl]pyridine 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

5-chloro-3-ethyl-1-pyridin-4-ylpyrazole-4-carbaldehyde
CID 43543114
1-(3,5-diethyl-1-pyridin-4-ylpyrazol-4-yl)-N-methylmethanamine
CID 107431079
4-(3,5-diethyl-4-methylpyrazol-1-yl)pyridine
CID 129214084
5-chloro-4-(chloromethyl)-1-(4-fluorophenyl)-3-propylpyrazole
CID 43333742
2-(3,5-diethyl-1-pyridin-4-ylpyrazol-4-yl)acetic acid
CID 79218684
4-[5-chloro-4-(chloromethyl)-3-ethylpyrazol-1-yl]-2,6-dimethylpyrimidine
CID 79823008
5-chloro-3-propyl-1-pyridin-4-ylpyrazole-4-carbonitrile
CID 63788616
4-(5-chloro-3-ethylpyrazol-1-yl)pyridine
CID 66020979
[5-chloro-1-(3-chlorophenyl)-3-ethylpyrazol-4-yl]methanol
CID 43156530
5-chloro-3-(methoxymethyl)-1-pyridin-4-ylpyrazole-4-carbaldehyde
CID 62320650
5-chloro-3-ethyl-4-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole
CID 81255305
5-chloro-1-(4-chlorophenyl)-3-ethylpyrazole-4-carbaldehyde
CID 43145573

Frequently Asked Questions

What is the IUPAC name of 4-[5-chloro-4-(chloromethyl)-3-ethylpyrazol-1-yl]pyridine?
The IUPAC name of 4-[5-chloro-4-(chloromethyl)-3-ethylpyrazol-1-yl]pyridine (CID 43543145) is 4-[5-chloro-4-(chloromethyl)-3-ethylpyrazol-1-yl]pyridine.
What is the SMILES notation for 4-[5-chloro-4-(chloromethyl)-3-ethylpyrazol-1-yl]pyridine?
The canonical SMILES for 4-[5-chloro-4-(chloromethyl)-3-ethylpyrazol-1-yl]pyridine is CCc1nn(-c2ccncc2)c(Cl)c1CCl.
What is the InChIKey of 4-[5-chloro-4-(chloromethyl)-3-ethylpyrazol-1-yl]pyridine?
The InChIKey is ZTCXGUCABCMALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3/c1-2-10-9(7-12)11(13)16(15-10)8-3-5-14-6-4-8/h3-6H,2,7H2,1H3.
What are the key properties of 4-[5-chloro-4-(chloromethyl)-3-ethylpyrazol-1-yl]pyridine?
4-[5-chloro-4-(chloromethyl)-3-ethylpyrazol-1-yl]pyridine has a molecular weight of 256.14 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-chloro-4-(chloromethyl)-3-ethylpyrazol-1-yl]pyridine is sourced from PubChem (CID 43543145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).