4-[5-(2-ethoxyphenoxy)pentyl]-3,5-dimethyl-1H-pyrazole

C18H26N2O2 — CID 3240425

IUPAC4-[5-(2-ethoxyphenoxy)pentyl]-3,5-dimethyl-1H-pyrazole
SMILESCCOc1ccccc1OCCCCCc1c(C)n[nH]c1C
InChIInChI=1S/C18H26N2O2/c1-4-21-17-11-7-8-12-18(17)22-13-9-5-6-10-16-14(2)19-20-15(16)3/h7-8,11-12H,4-6,9-10,13H2,1-3H3,(H,19,20)
InChIKeyZYVWDGOLKRWZLE-UHFFFAOYSA-N
MW302.42 g/mol
LogP4.22
Rot. Bonds9

About 4-[5-(2-ethoxyphenoxy)pentyl]-3,5-dimethyl-1H-pyrazole

4-[5-(2-ethoxyphenoxy)pentyl]-3,5-dimethyl-1H-pyrazole (PubChem CID 3240425) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 4-[5-(2-ethoxyphenoxy)pentyl]-3,5-dimethyl-1H-pyrazole.

Molecular Properties

Compound Name4-[5-(2-ethoxyphenoxy)pentyl]-3,5-dimethyl-1H-pyrazole
PubChem CID3240425
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name4-[5-(2-ethoxyphenoxy)pentyl]-3,5-dimethyl-1H-pyrazole
SMILESCCOc1ccccc1OCCCCCc1c(C)n[nH]c1C
InChIInChI=1S/C18H26N2O2/c1-4-21-17-11-7-8-12-18(17)22-13-9-5-6-10-16-14(2)19-20-15(16)3/h7-8,11-12H,4-6,9-10,13H2,1-3H3,(H,19,20)
InChIKeyZYVWDGOLKRWZLE-UHFFFAOYSA-N
XLogP4.22
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-ethoxyphenoxy)pentyl]-3,5-dimethyl-1H-pyrazole?
The IUPAC name of 4-[5-(2-ethoxyphenoxy)pentyl]-3,5-dimethyl-1H-pyrazole (CID 3240425) is 4-[5-(2-ethoxyphenoxy)pentyl]-3,5-dimethyl-1H-pyrazole.
What is the SMILES notation for 4-[5-(2-ethoxyphenoxy)pentyl]-3,5-dimethyl-1H-pyrazole?
The canonical SMILES for 4-[5-(2-ethoxyphenoxy)pentyl]-3,5-dimethyl-1H-pyrazole is CCOc1ccccc1OCCCCCc1c(C)n[nH]c1C.
What is the InChIKey of 4-[5-(2-ethoxyphenoxy)pentyl]-3,5-dimethyl-1H-pyrazole?
The InChIKey is ZYVWDGOLKRWZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-4-21-17-11-7-8-12-18(17)22-13-9-5-6-10-16-14(2)19-20-15(16)3/h7-8,11-12H,4-6,9-10,13H2,1-3H3,(H,19,20).
What are the key properties of 4-[5-(2-ethoxyphenoxy)pentyl]-3,5-dimethyl-1H-pyrazole?
4-[5-(2-ethoxyphenoxy)pentyl]-3,5-dimethyl-1H-pyrazole has a molecular weight of 302.42 g/mol, XLogP of 4.22, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-ethoxyphenoxy)pentyl]-3,5-dimethyl-1H-pyrazole is sourced from PubChem (CID 3240425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).