4-[4-(2-chloro-4-methoxyphenoxy)butyl]-3,5-diethyl-1H-pyrazole

C18H25ClN2O2 — CID 6482598

IUPAC4-[4-(2-chloro-4-methoxyphenoxy)butyl]-3,5-diethyl-1H-pyrazole
SMILESCCc1n[nH]c(CC)c1CCCCOc1ccc(OC)cc1Cl
InChIInChI=1S/C18H25ClN2O2/c1-4-16-14(17(5-2)21-20-16)8-6-7-11-23-18-10-9-13(22-3)12-15(18)19/h9-10,12H,4-8,11H2,1-3H3,(H,20,21)
InChIKeyKPZNEQPPAZSVMI-UHFFFAOYSA-N
MW336.86 g/mol
LogP4.60
Rot. Bonds9

About 4-[4-(2-chloro-4-methoxyphenoxy)butyl]-3,5-diethyl-1H-pyrazole

4-[4-(2-chloro-4-methoxyphenoxy)butyl]-3,5-diethyl-1H-pyrazole (PubChem CID 6482598) has the molecular formula C18H25ClN2O2 and a molecular weight of 336.86 g/mol. Its IUPAC name is 4-[4-(2-chloro-4-methoxyphenoxy)butyl]-3,5-diethyl-1H-pyrazole.

Molecular Properties

Compound Name4-[4-(2-chloro-4-methoxyphenoxy)butyl]-3,5-diethyl-1H-pyrazole
PubChem CID6482598
Molecular FormulaC18H25ClN2O2
Molecular Weight336.86 g/mol
Exact Mass336.16
IUPAC Name4-[4-(2-chloro-4-methoxyphenoxy)butyl]-3,5-diethyl-1H-pyrazole
SMILESCCc1n[nH]c(CC)c1CCCCOc1ccc(OC)cc1Cl
InChIInChI=1S/C18H25ClN2O2/c1-4-16-14(17(5-2)21-20-16)8-6-7-11-23-18-10-9-13(22-3)12-15(18)19/h9-10,12H,4-8,11H2,1-3H3,(H,20,21)
InChIKeyKPZNEQPPAZSVMI-UHFFFAOYSA-N
XLogP4.60
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.86
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[4-(2-chloro-4-methoxyphenoxy)butyl]-3,5-diethyl-1H-pyrazole 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-[4-(2-chloro-4-methoxyphenoxy)butyl]-3,5-diethyl-1H-pyrazole?
The IUPAC name of 4-[4-(2-chloro-4-methoxyphenoxy)butyl]-3,5-diethyl-1H-pyrazole (CID 6482598) is 4-[4-(2-chloro-4-methoxyphenoxy)butyl]-3,5-diethyl-1H-pyrazole.
What is the SMILES notation for 4-[4-(2-chloro-4-methoxyphenoxy)butyl]-3,5-diethyl-1H-pyrazole?
The canonical SMILES for 4-[4-(2-chloro-4-methoxyphenoxy)butyl]-3,5-diethyl-1H-pyrazole is CCc1n[nH]c(CC)c1CCCCOc1ccc(OC)cc1Cl.
What is the InChIKey of 4-[4-(2-chloro-4-methoxyphenoxy)butyl]-3,5-diethyl-1H-pyrazole?
The InChIKey is KPZNEQPPAZSVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O2/c1-4-16-14(17(5-2)21-20-16)8-6-7-11-23-18-10-9-13(22-3)12-15(18)19/h9-10,12H,4-8,11H2,1-3H3,(H,20,21).
What are the key properties of 4-[4-(2-chloro-4-methoxyphenoxy)butyl]-3,5-diethyl-1H-pyrazole?
4-[4-(2-chloro-4-methoxyphenoxy)butyl]-3,5-diethyl-1H-pyrazole has a molecular weight of 336.86 g/mol, XLogP of 4.60, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-chloro-4-methoxyphenoxy)butyl]-3,5-diethyl-1H-pyrazole is sourced from PubChem (CID 6482598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).