4-(chloromethyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrazole

C11H19ClN2O3 — CID 104567003

IUPAC4-(chloromethyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrazole
SMILESCOCCOCCOCCn1cc(CCl)cn1
InChIInChI=1S/C11H19ClN2O3/c1-15-4-5-17-7-6-16-3-2-14-10-11(8-12)9-13-14/h9-10H,2-8H2,1H3
InChIKeyPUHONWRSJVHQKM-UHFFFAOYSA-N
MW262.74 g/mol
LogP1.30
Rot. Bonds10

About 4-(chloromethyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrazole

4-(chloromethyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrazole (PubChem CID 104567003) has the molecular formula C11H19ClN2O3 and a molecular weight of 262.74 g/mol. Its IUPAC name is 4-(chloromethyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrazole.

Molecular Properties

Compound Name4-(chloromethyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrazole
PubChem CID104567003
Molecular FormulaC11H19ClN2O3
Molecular Weight262.74 g/mol
Exact Mass262.11
IUPAC Name4-(chloromethyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrazole
SMILESCOCCOCCOCCn1cc(CCl)cn1
InChIInChI=1S/C11H19ClN2O3/c1-15-4-5-17-7-6-16-3-2-14-10-11(8-12)9-13-14/h9-10H,2-8H2,1H3
InChIKeyPUHONWRSJVHQKM-UHFFFAOYSA-N
XLogP1.30
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrazole?
The IUPAC name of 4-(chloromethyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrazole (CID 104567003) is 4-(chloromethyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrazole.
What is the SMILES notation for 4-(chloromethyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrazole?
The canonical SMILES for 4-(chloromethyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrazole is COCCOCCOCCn1cc(CCl)cn1.
What is the InChIKey of 4-(chloromethyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrazole?
The InChIKey is PUHONWRSJVHQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN2O3/c1-15-4-5-17-7-6-16-3-2-14-10-11(8-12)9-13-14/h9-10H,2-8H2,1H3.
What are the key properties of 4-(chloromethyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrazole?
4-(chloromethyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrazole has a molecular weight of 262.74 g/mol, XLogP of 1.30, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrazole is sourced from PubChem (CID 104567003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).