2-[4-(4-chlorophenoxy)-5-methyl-1H-pyrazol-3-yl]-4-ethyl-5-methoxyphenol

C19H19ClN2O3 — CID 1325142

IUPAC2-[4-(4-chlorophenoxy)-5-methyl-1H-pyrazol-3-yl]-4-ethyl-5-methoxyphenol
SMILESCCc1cc(-c2n[nH]c(C)c2Oc2ccc(Cl)cc2)c(O)cc1OC
InChIInChI=1S/C19H19ClN2O3/c1-4-12-9-15(16(23)10-17(12)24-3)18-19(11(2)21-22-18)25-14-7-5-13(20)6-8-14/h5-10,23H,4H2,1-3H3,(H,21,22)
InChIKeyMGZDNPCWUPMUQF-UHFFFAOYSA-N
MW358.83 g/mol
LogP5.11
Rot. Bonds5

About 2-[4-(4-chlorophenoxy)-5-methyl-1H-pyrazol-3-yl]-4-ethyl-5-methoxyphenol

2-[4-(4-chlorophenoxy)-5-methyl-1H-pyrazol-3-yl]-4-ethyl-5-methoxyphenol (PubChem CID 1325142) has the molecular formula C19H19ClN2O3 and a molecular weight of 358.83 g/mol. Its IUPAC name is 2-[4-(4-chlorophenoxy)-5-methyl-1H-pyrazol-3-yl]-4-ethyl-5-methoxyphenol.

Molecular Properties

Compound Name2-[4-(4-chlorophenoxy)-5-methyl-1H-pyrazol-3-yl]-4-ethyl-5-methoxyphenol
PubChem CID1325142
Molecular FormulaC19H19ClN2O3
Molecular Weight358.83 g/mol
Exact Mass358.11
IUPAC Name2-[4-(4-chlorophenoxy)-5-methyl-1H-pyrazol-3-yl]-4-ethyl-5-methoxyphenol
SMILESCCc1cc(-c2n[nH]c(C)c2Oc2ccc(Cl)cc2)c(O)cc1OC
InChIInChI=1S/C19H19ClN2O3/c1-4-12-9-15(16(23)10-17(12)24-3)18-19(11(2)21-22-18)25-14-7-5-13(20)6-8-14/h5-10,23H,4H2,1-3H3,(H,21,22)
InChIKeyMGZDNPCWUPMUQF-UHFFFAOYSA-N
XLogP5.11
TPSA67.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.83
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenoxy)-5-methyl-1H-pyrazol-3-yl]-4-ethyl-5-methoxyphenol?
The IUPAC name of 2-[4-(4-chlorophenoxy)-5-methyl-1H-pyrazol-3-yl]-4-ethyl-5-methoxyphenol (CID 1325142) is 2-[4-(4-chlorophenoxy)-5-methyl-1H-pyrazol-3-yl]-4-ethyl-5-methoxyphenol.
What is the SMILES notation for 2-[4-(4-chlorophenoxy)-5-methyl-1H-pyrazol-3-yl]-4-ethyl-5-methoxyphenol?
The canonical SMILES for 2-[4-(4-chlorophenoxy)-5-methyl-1H-pyrazol-3-yl]-4-ethyl-5-methoxyphenol is CCc1cc(-c2n[nH]c(C)c2Oc2ccc(Cl)cc2)c(O)cc1OC.
What is the InChIKey of 2-[4-(4-chlorophenoxy)-5-methyl-1H-pyrazol-3-yl]-4-ethyl-5-methoxyphenol?
The InChIKey is MGZDNPCWUPMUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O3/c1-4-12-9-15(16(23)10-17(12)24-3)18-19(11(2)21-22-18)25-14-7-5-13(20)6-8-14/h5-10,23H,4H2,1-3H3,(H,21,22).
What are the key properties of 2-[4-(4-chlorophenoxy)-5-methyl-1H-pyrazol-3-yl]-4-ethyl-5-methoxyphenol?
2-[4-(4-chlorophenoxy)-5-methyl-1H-pyrazol-3-yl]-4-ethyl-5-methoxyphenol has a molecular weight of 358.83 g/mol, XLogP of 5.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenoxy)-5-methyl-1H-pyrazol-3-yl]-4-ethyl-5-methoxyphenol is sourced from PubChem (CID 1325142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).