4-chloro-5-(3-chlorocycloheptyl)-1-(2-methoxyethyl)pyrazole

C13H20Cl2N2O — CID 114665250

IUPAC4-chloro-5-(3-chlorocycloheptyl)-1-(2-methoxyethyl)pyrazole
SMILESCOCCn1ncc(Cl)c1C1CCCCC(Cl)C1
InChIInChI=1S/C13H20Cl2N2O/c1-18-7-6-17-13(12(15)9-16-17)10-4-2-3-5-11(14)8-10/h9-11H,2-8H2,1H3
InChIKeyOOVHXLNIFZUDKN-UHFFFAOYSA-N
MW291.22 g/mol
LogP3.84
Rot. Bonds4

About 4-chloro-5-(3-chlorocycloheptyl)-1-(2-methoxyethyl)pyrazole

4-chloro-5-(3-chlorocycloheptyl)-1-(2-methoxyethyl)pyrazole (PubChem CID 114665250) has the molecular formula C13H20Cl2N2O and a molecular weight of 291.22 g/mol. Its IUPAC name is 4-chloro-5-(3-chlorocycloheptyl)-1-(2-methoxyethyl)pyrazole.

Molecular Properties

Compound Name4-chloro-5-(3-chlorocycloheptyl)-1-(2-methoxyethyl)pyrazole
PubChem CID114665250
Molecular FormulaC13H20Cl2N2O
Molecular Weight291.22 g/mol
Exact Mass290.10
IUPAC Name4-chloro-5-(3-chlorocycloheptyl)-1-(2-methoxyethyl)pyrazole
SMILESCOCCn1ncc(Cl)c1C1CCCCC(Cl)C1
InChIInChI=1S/C13H20Cl2N2O/c1-18-7-6-17-13(12(15)9-16-17)10-4-2-3-5-11(14)8-10/h9-11H,2-8H2,1H3
InChIKeyOOVHXLNIFZUDKN-UHFFFAOYSA-N
XLogP3.84
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.22
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-chloro-5-(3-chlorocycloheptyl)-1-(2-methoxyethyl)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

4-chloro-5-(3-chlorocyclohexyl)-1-methylpyrazole
CID 114665220
4-bromo-5-(3-chlorocycloheptyl)-1-propylpyrazole
CID 114665248
5-(3-chlorocyclohexyl)-1-ethyl-4-methoxypyrazole
CID 114665227
4-bromo-5-(3-chlorocycloheptyl)-1-methylpyrazole
CID 114665249
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(oxan-2-yl)methanone
CID 115815285
7-bicyclo[4.1.0]heptanyl-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol
CID 115839462
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-piperidin-2-ylmethanone
CID 114668048
5-(3-bromocyclopentyl)-4-chloro-1-propylpyrazole
CID 114665372
3-(4-chloro-1-ethylpyrazol-5-yl)cyclohexan-1-amine
CID 114663810
5-chloro-4-cyclopentyloxy-1-(2-methoxyethyl)pyrazole
CID 117231738
[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-cyclopentylmethyl]hydrazine
CID 105204303
4-bromo-5-(2-chlorocyclopentyl)-1-(2-methoxyethyl)pyrazole
CID 114662548

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(3-chlorocycloheptyl)-1-(2-methoxyethyl)pyrazole?
The IUPAC name of 4-chloro-5-(3-chlorocycloheptyl)-1-(2-methoxyethyl)pyrazole (CID 114665250) is 4-chloro-5-(3-chlorocycloheptyl)-1-(2-methoxyethyl)pyrazole.
What is the SMILES notation for 4-chloro-5-(3-chlorocycloheptyl)-1-(2-methoxyethyl)pyrazole?
The canonical SMILES for 4-chloro-5-(3-chlorocycloheptyl)-1-(2-methoxyethyl)pyrazole is COCCn1ncc(Cl)c1C1CCCCC(Cl)C1.
What is the InChIKey of 4-chloro-5-(3-chlorocycloheptyl)-1-(2-methoxyethyl)pyrazole?
The InChIKey is OOVHXLNIFZUDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20Cl2N2O/c1-18-7-6-17-13(12(15)9-16-17)10-4-2-3-5-11(14)8-10/h9-11H,2-8H2,1H3.
What are the key properties of 4-chloro-5-(3-chlorocycloheptyl)-1-(2-methoxyethyl)pyrazole?
4-chloro-5-(3-chlorocycloheptyl)-1-(2-methoxyethyl)pyrazole has a molecular weight of 291.22 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(3-chlorocycloheptyl)-1-(2-methoxyethyl)pyrazole is sourced from PubChem (CID 114665250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).