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

C17H24N2O2 — CID 2232433

IUPAC4-[5-(2-methoxyphenoxy)pentyl]-3,5-dimethyl-1H-pyrazole
SMILESCOc1ccccc1OCCCCCc1c(C)n[nH]c1C
InChIInChI=1S/C17H24N2O2/c1-13-15(14(2)19-18-13)9-5-4-8-12-21-17-11-7-6-10-16(17)20-3/h6-7,10-11H,4-5,8-9,12H2,1-3H3,(H,18,19)
InChIKeyRLBDOCZNVOPWMH-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.83
Rot. Bonds8

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

4-[5-(2-methoxyphenoxy)pentyl]-3,5-dimethyl-1H-pyrazole (PubChem CID 2232433) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 4-[5-(2-methoxyphenoxy)pentyl]-3,5-dimethyl-1H-pyrazole.

Molecular Properties

Compound Name4-[5-(2-methoxyphenoxy)pentyl]-3,5-dimethyl-1H-pyrazole
PubChem CID2232433
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name4-[5-(2-methoxyphenoxy)pentyl]-3,5-dimethyl-1H-pyrazole
SMILESCOc1ccccc1OCCCCCc1c(C)n[nH]c1C
InChIInChI=1S/C17H24N2O2/c1-13-15(14(2)19-18-13)9-5-4-8-12-21-17-11-7-6-10-16(17)20-3/h6-7,10-11H,4-5,8-9,12H2,1-3H3,(H,18,19)
InChIKeyRLBDOCZNVOPWMH-UHFFFAOYSA-N
XLogP3.83
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.83
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-methoxyphenoxy)pentyl]-3,5-dimethyl-1H-pyrazole?
The IUPAC name of 4-[5-(2-methoxyphenoxy)pentyl]-3,5-dimethyl-1H-pyrazole (CID 2232433) is 4-[5-(2-methoxyphenoxy)pentyl]-3,5-dimethyl-1H-pyrazole.
What is the SMILES notation for 4-[5-(2-methoxyphenoxy)pentyl]-3,5-dimethyl-1H-pyrazole?
The canonical SMILES for 4-[5-(2-methoxyphenoxy)pentyl]-3,5-dimethyl-1H-pyrazole is COc1ccccc1OCCCCCc1c(C)n[nH]c1C.
What is the InChIKey of 4-[5-(2-methoxyphenoxy)pentyl]-3,5-dimethyl-1H-pyrazole?
The InChIKey is RLBDOCZNVOPWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-13-15(14(2)19-18-13)9-5-4-8-12-21-17-11-7-6-10-16(17)20-3/h6-7,10-11H,4-5,8-9,12H2,1-3H3,(H,18,19).
What are the key properties of 4-[5-(2-methoxyphenoxy)pentyl]-3,5-dimethyl-1H-pyrazole?
4-[5-(2-methoxyphenoxy)pentyl]-3,5-dimethyl-1H-pyrazole has a molecular weight of 288.39 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-methoxyphenoxy)pentyl]-3,5-dimethyl-1H-pyrazole is sourced from PubChem (CID 2232433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).