4-[5-(2-chloro-4-methoxyphenoxy)pentyl]-3,5-diethyl-1-methylpyrazole

C20H29ClN2O2 — CID 6482606

IUPAC4-[5-(2-chloro-4-methoxyphenoxy)pentyl]-3,5-diethyl-1-methylpyrazole
SMILESCCc1nn(C)c(CC)c1CCCCCOc1ccc(OC)cc1Cl
InChIInChI=1S/C20H29ClN2O2/c1-5-18-16(19(6-2)23(3)22-18)10-8-7-9-13-25-20-12-11-15(24-4)14-17(20)21/h11-12,14H,5-10,13H2,1-4H3
InChIKeyALMNJOGQJBJCBD-UHFFFAOYSA-N
MW364.92 g/mol
LogP5.00
Rot. Bonds10

About 4-[5-(2-chloro-4-methoxyphenoxy)pentyl]-3,5-diethyl-1-methylpyrazole

4-[5-(2-chloro-4-methoxyphenoxy)pentyl]-3,5-diethyl-1-methylpyrazole (PubChem CID 6482606) has the molecular formula C20H29ClN2O2 and a molecular weight of 364.92 g/mol. Its IUPAC name is 4-[5-(2-chloro-4-methoxyphenoxy)pentyl]-3,5-diethyl-1-methylpyrazole.

Molecular Properties

Compound Name4-[5-(2-chloro-4-methoxyphenoxy)pentyl]-3,5-diethyl-1-methylpyrazole
PubChem CID6482606
Molecular FormulaC20H29ClN2O2
Molecular Weight364.92 g/mol
Exact Mass364.19
IUPAC Name4-[5-(2-chloro-4-methoxyphenoxy)pentyl]-3,5-diethyl-1-methylpyrazole
SMILESCCc1nn(C)c(CC)c1CCCCCOc1ccc(OC)cc1Cl
InChIInChI=1S/C20H29ClN2O2/c1-5-18-16(19(6-2)23(3)22-18)10-8-7-9-13-25-20-12-11-15(24-4)14-17(20)21/h11-12,14H,5-10,13H2,1-4H3
InChIKeyALMNJOGQJBJCBD-UHFFFAOYSA-N
XLogP5.00
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.92
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[5-(2-chloro-4-methoxyphenoxy)pentyl]-3,5-diethyl-1-methylpyrazole 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-[5-(2-chloro-4-methoxyphenoxy)pentyl]-3,5-diethyl-1-methylpyrazole?
The IUPAC name of 4-[5-(2-chloro-4-methoxyphenoxy)pentyl]-3,5-diethyl-1-methylpyrazole (CID 6482606) is 4-[5-(2-chloro-4-methoxyphenoxy)pentyl]-3,5-diethyl-1-methylpyrazole.
What is the SMILES notation for 4-[5-(2-chloro-4-methoxyphenoxy)pentyl]-3,5-diethyl-1-methylpyrazole?
The canonical SMILES for 4-[5-(2-chloro-4-methoxyphenoxy)pentyl]-3,5-diethyl-1-methylpyrazole is CCc1nn(C)c(CC)c1CCCCCOc1ccc(OC)cc1Cl.
What is the InChIKey of 4-[5-(2-chloro-4-methoxyphenoxy)pentyl]-3,5-diethyl-1-methylpyrazole?
The InChIKey is ALMNJOGQJBJCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29ClN2O2/c1-5-18-16(19(6-2)23(3)22-18)10-8-7-9-13-25-20-12-11-15(24-4)14-17(20)21/h11-12,14H,5-10,13H2,1-4H3.
What are the key properties of 4-[5-(2-chloro-4-methoxyphenoxy)pentyl]-3,5-diethyl-1-methylpyrazole?
4-[5-(2-chloro-4-methoxyphenoxy)pentyl]-3,5-diethyl-1-methylpyrazole has a molecular weight of 364.92 g/mol, XLogP of 5.00, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-chloro-4-methoxyphenoxy)pentyl]-3,5-diethyl-1-methylpyrazole is sourced from PubChem (CID 6482606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).