4-[3-(4-methoxyphenoxy)propyl]-3,5-dimethyl-1H-pyrazole

C15H20N2O2 — CID 2057913

IUPAC4-[3-(4-methoxyphenoxy)propyl]-3,5-dimethyl-1H-pyrazole
SMILESCOc1ccc(OCCCc2c(C)n[nH]c2C)cc1
InChIInChI=1S/C15H20N2O2/c1-11-15(12(2)17-16-11)5-4-10-19-14-8-6-13(18-3)7-9-14/h6-9H,4-5,10H2,1-3H3,(H,16,17)
InChIKeyOHCZRIZLZZAKTF-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.05
Rot. Bonds6

About 4-[3-(4-methoxyphenoxy)propyl]-3,5-dimethyl-1H-pyrazole

4-[3-(4-methoxyphenoxy)propyl]-3,5-dimethyl-1H-pyrazole (PubChem CID 2057913) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-[3-(4-methoxyphenoxy)propyl]-3,5-dimethyl-1H-pyrazole.

Molecular Properties

Compound Name4-[3-(4-methoxyphenoxy)propyl]-3,5-dimethyl-1H-pyrazole
PubChem CID2057913
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name4-[3-(4-methoxyphenoxy)propyl]-3,5-dimethyl-1H-pyrazole
SMILESCOc1ccc(OCCCc2c(C)n[nH]c2C)cc1
InChIInChI=1S/C15H20N2O2/c1-11-15(12(2)17-16-11)5-4-10-19-14-8-6-13(18-3)7-9-14/h6-9H,4-5,10H2,1-3H3,(H,16,17)
InChIKeyOHCZRIZLZZAKTF-UHFFFAOYSA-N
XLogP3.05
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.05
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-[3-(4-methoxyphenoxy)propyl]-3,5-dimethyl-1H-pyrazole?
The IUPAC name of 4-[3-(4-methoxyphenoxy)propyl]-3,5-dimethyl-1H-pyrazole (CID 2057913) is 4-[3-(4-methoxyphenoxy)propyl]-3,5-dimethyl-1H-pyrazole.
What is the SMILES notation for 4-[3-(4-methoxyphenoxy)propyl]-3,5-dimethyl-1H-pyrazole?
The canonical SMILES for 4-[3-(4-methoxyphenoxy)propyl]-3,5-dimethyl-1H-pyrazole is COc1ccc(OCCCc2c(C)n[nH]c2C)cc1.
What is the InChIKey of 4-[3-(4-methoxyphenoxy)propyl]-3,5-dimethyl-1H-pyrazole?
The InChIKey is OHCZRIZLZZAKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-11-15(12(2)17-16-11)5-4-10-19-14-8-6-13(18-3)7-9-14/h6-9H,4-5,10H2,1-3H3,(H,16,17).
What are the key properties of 4-[3-(4-methoxyphenoxy)propyl]-3,5-dimethyl-1H-pyrazole?
4-[3-(4-methoxyphenoxy)propyl]-3,5-dimethyl-1H-pyrazole has a molecular weight of 260.34 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methoxyphenoxy)propyl]-3,5-dimethyl-1H-pyrazole is sourced from PubChem (CID 2057913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).