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

C19H27ClN2O2 — CID 6482599

IUPAC4-[5-(2-chloro-4-methoxyphenoxy)pentyl]-3,5-diethyl-1H-pyrazole
SMILESCCc1n[nH]c(CC)c1CCCCCOc1ccc(OC)cc1Cl
InChIInChI=1S/C19H27ClN2O2/c1-4-17-15(18(5-2)22-21-17)9-7-6-8-12-24-19-11-10-14(23-3)13-16(19)20/h10-11,13H,4-9,12H2,1-3H3,(H,21,22)
InChIKeyNIMCWOUCHUVKBJ-UHFFFAOYSA-N
MW350.89 g/mol
LogP4.99
Rot. Bonds10

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

4-[5-(2-chloro-4-methoxyphenoxy)pentyl]-3,5-diethyl-1H-pyrazole (PubChem CID 6482599) has the molecular formula C19H27ClN2O2 and a molecular weight of 350.89 g/mol. Its IUPAC name is 4-[5-(2-chloro-4-methoxyphenoxy)pentyl]-3,5-diethyl-1H-pyrazole.

Molecular Properties

Compound Name4-[5-(2-chloro-4-methoxyphenoxy)pentyl]-3,5-diethyl-1H-pyrazole
PubChem CID6482599
Molecular FormulaC19H27ClN2O2
Molecular Weight350.89 g/mol
Exact Mass350.18
IUPAC Name4-[5-(2-chloro-4-methoxyphenoxy)pentyl]-3,5-diethyl-1H-pyrazole
SMILESCCc1n[nH]c(CC)c1CCCCCOc1ccc(OC)cc1Cl
InChIInChI=1S/C19H27ClN2O2/c1-4-17-15(18(5-2)22-21-17)9-7-6-8-12-24-19-11-10-14(23-3)13-16(19)20/h10-11,13H,4-9,12H2,1-3H3,(H,21,22)
InChIKeyNIMCWOUCHUVKBJ-UHFFFAOYSA-N
XLogP4.99
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.89
LogP ≤ 54.99
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-chloro-4-methoxyphenoxy)pentyl]-3,5-diethyl-1H-pyrazole?
The IUPAC name of 4-[5-(2-chloro-4-methoxyphenoxy)pentyl]-3,5-diethyl-1H-pyrazole (CID 6482599) is 4-[5-(2-chloro-4-methoxyphenoxy)pentyl]-3,5-diethyl-1H-pyrazole.
What is the SMILES notation for 4-[5-(2-chloro-4-methoxyphenoxy)pentyl]-3,5-diethyl-1H-pyrazole?
The canonical SMILES for 4-[5-(2-chloro-4-methoxyphenoxy)pentyl]-3,5-diethyl-1H-pyrazole is CCc1n[nH]c(CC)c1CCCCCOc1ccc(OC)cc1Cl.
What is the InChIKey of 4-[5-(2-chloro-4-methoxyphenoxy)pentyl]-3,5-diethyl-1H-pyrazole?
The InChIKey is NIMCWOUCHUVKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O2/c1-4-17-15(18(5-2)22-21-17)9-7-6-8-12-24-19-11-10-14(23-3)13-16(19)20/h10-11,13H,4-9,12H2,1-3H3,(H,21,22).
What are the key properties of 4-[5-(2-chloro-4-methoxyphenoxy)pentyl]-3,5-diethyl-1H-pyrazole?
4-[5-(2-chloro-4-methoxyphenoxy)pentyl]-3,5-diethyl-1H-pyrazole has a molecular weight of 350.89 g/mol, XLogP of 4.99, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-chloro-4-methoxyphenoxy)pentyl]-3,5-diethyl-1H-pyrazole is sourced from PubChem (CID 6482599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).