2-[4-(2-chlorophenyl)-1H-pyrazol-5-yl]-5-(2-methylpropoxy)phenol

C19H19ClN2O2 — CID 135765783

IUPAC2-[4-(2-chlorophenyl)-1H-pyrazol-5-yl]-5-(2-methylpropoxy)phenol
SMILESCC(C)COc1ccc(-c2[nH]ncc2-c2ccccc2Cl)c(O)c1
InChIInChI=1S/C19H19ClN2O2/c1-12(2)11-24-13-7-8-15(18(23)9-13)19-16(10-21-22-19)14-5-3-4-6-17(14)20/h3-10,12,23H,11H2,1-2H3,(H,21,22)
InChIKeyHBZUIVZCOWUDBF-UHFFFAOYSA-N
MW342.83 g/mol
LogP5.14
Rot. Bonds5

About 2-[4-(2-chlorophenyl)-1H-pyrazol-5-yl]-5-(2-methylpropoxy)phenol

2-[4-(2-chlorophenyl)-1H-pyrazol-5-yl]-5-(2-methylpropoxy)phenol (PubChem CID 135765783) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is 2-[4-(2-chlorophenyl)-1H-pyrazol-5-yl]-5-(2-methylpropoxy)phenol.

Molecular Properties

Compound Name2-[4-(2-chlorophenyl)-1H-pyrazol-5-yl]-5-(2-methylpropoxy)phenol
PubChem CID135765783
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC Name2-[4-(2-chlorophenyl)-1H-pyrazol-5-yl]-5-(2-methylpropoxy)phenol
SMILESCC(C)COc1ccc(-c2[nH]ncc2-c2ccccc2Cl)c(O)c1
InChIInChI=1S/C19H19ClN2O2/c1-12(2)11-24-13-7-8-15(18(23)9-13)19-16(10-21-22-19)14-5-3-4-6-17(14)20/h3-10,12,23H,11H2,1-2H3,(H,21,22)
InChIKeyHBZUIVZCOWUDBF-UHFFFAOYSA-N
XLogP5.14
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.83
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chlorophenyl)-1H-pyrazol-5-yl]-5-(2-methylpropoxy)phenol?
The IUPAC name of 2-[4-(2-chlorophenyl)-1H-pyrazol-5-yl]-5-(2-methylpropoxy)phenol (CID 135765783) is 2-[4-(2-chlorophenyl)-1H-pyrazol-5-yl]-5-(2-methylpropoxy)phenol.
What is the SMILES notation for 2-[4-(2-chlorophenyl)-1H-pyrazol-5-yl]-5-(2-methylpropoxy)phenol?
The canonical SMILES for 2-[4-(2-chlorophenyl)-1H-pyrazol-5-yl]-5-(2-methylpropoxy)phenol is CC(C)COc1ccc(-c2[nH]ncc2-c2ccccc2Cl)c(O)c1.
What is the InChIKey of 2-[4-(2-chlorophenyl)-1H-pyrazol-5-yl]-5-(2-methylpropoxy)phenol?
The InChIKey is HBZUIVZCOWUDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c1-12(2)11-24-13-7-8-15(18(23)9-13)19-16(10-21-22-19)14-5-3-4-6-17(14)20/h3-10,12,23H,11H2,1-2H3,(H,21,22).
What are the key properties of 2-[4-(2-chlorophenyl)-1H-pyrazol-5-yl]-5-(2-methylpropoxy)phenol?
2-[4-(2-chlorophenyl)-1H-pyrazol-5-yl]-5-(2-methylpropoxy)phenol has a molecular weight of 342.83 g/mol, XLogP of 5.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chlorophenyl)-1H-pyrazol-5-yl]-5-(2-methylpropoxy)phenol is sourced from PubChem (CID 135765783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).