5-chloro-4-(chloromethyl)-1-cyclohexyl-3-cyclopropylpyrazole

C13H18Cl2N2 — CID 55190867

IUPAC5-chloro-4-(chloromethyl)-1-cyclohexyl-3-cyclopropylpyrazole
SMILESClCc1c(C2CC2)nn(C2CCCCC2)c1Cl
InChIInChI=1S/C13H18Cl2N2/c14-8-11-12(9-6-7-9)16-17(13(11)15)10-4-2-1-3-5-10/h9-10H,1-8H2
InChIKeyMCVFWIRREDWFES-UHFFFAOYSA-N
MW273.21 g/mol
LogP4.66
Rot. Bonds3

About 5-chloro-4-(chloromethyl)-1-cyclohexyl-3-cyclopropylpyrazole

5-chloro-4-(chloromethyl)-1-cyclohexyl-3-cyclopropylpyrazole (PubChem CID 55190867) has the molecular formula C13H18Cl2N2 and a molecular weight of 273.21 g/mol. Its IUPAC name is 5-chloro-4-(chloromethyl)-1-cyclohexyl-3-cyclopropylpyrazole.

Molecular Properties

Compound Name5-chloro-4-(chloromethyl)-1-cyclohexyl-3-cyclopropylpyrazole
PubChem CID55190867
Molecular FormulaC13H18Cl2N2
Molecular Weight273.21 g/mol
Exact Mass272.08
IUPAC Name5-chloro-4-(chloromethyl)-1-cyclohexyl-3-cyclopropylpyrazole
SMILESClCc1c(C2CC2)nn(C2CCCCC2)c1Cl
InChIInChI=1S/C13H18Cl2N2/c14-8-11-12(9-6-7-9)16-17(13(11)15)10-4-2-1-3-5-10/h9-10H,1-8H2
InChIKeyMCVFWIRREDWFES-UHFFFAOYSA-N
XLogP4.66
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(chloromethyl)-1-cyclohexyl-3-cyclopropylpyrazole?
The IUPAC name of 5-chloro-4-(chloromethyl)-1-cyclohexyl-3-cyclopropylpyrazole (CID 55190867) is 5-chloro-4-(chloromethyl)-1-cyclohexyl-3-cyclopropylpyrazole.
What is the SMILES notation for 5-chloro-4-(chloromethyl)-1-cyclohexyl-3-cyclopropylpyrazole?
The canonical SMILES for 5-chloro-4-(chloromethyl)-1-cyclohexyl-3-cyclopropylpyrazole is ClCc1c(C2CC2)nn(C2CCCCC2)c1Cl.
What is the InChIKey of 5-chloro-4-(chloromethyl)-1-cyclohexyl-3-cyclopropylpyrazole?
The InChIKey is MCVFWIRREDWFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2/c14-8-11-12(9-6-7-9)16-17(13(11)15)10-4-2-1-3-5-10/h9-10H,1-8H2.
What are the key properties of 5-chloro-4-(chloromethyl)-1-cyclohexyl-3-cyclopropylpyrazole?
5-chloro-4-(chloromethyl)-1-cyclohexyl-3-cyclopropylpyrazole has a molecular weight of 273.21 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(chloromethyl)-1-cyclohexyl-3-cyclopropylpyrazole is sourced from PubChem (CID 55190867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).