2-[5-(2-chlorophenyl)-1H-pyrazol-3-yl]-5-methylphenol

C16H13ClN2O — CID 698916

IUPAC2-[5-(2-chlorophenyl)-1H-pyrazol-3-yl]-5-methylphenol
SMILESCc1ccc(-c2cc(-c3ccccc3Cl)[nH]n2)c(O)c1
InChIInChI=1S/C16H13ClN2O/c1-10-6-7-12(16(20)8-10)15-9-14(18-19-15)11-4-2-3-5-13(11)17/h2-9,20H,1H3,(H,18,19)
InChIKeyYWJJPZQGZXAJDF-UHFFFAOYSA-N
MW284.75 g/mol
LogP4.41
Rot. Bonds2

About 2-[5-(2-chlorophenyl)-1H-pyrazol-3-yl]-5-methylphenol

2-[5-(2-chlorophenyl)-1H-pyrazol-3-yl]-5-methylphenol (PubChem CID 698916) has the molecular formula C16H13ClN2O and a molecular weight of 284.75 g/mol. Its IUPAC name is 2-[5-(2-chlorophenyl)-1H-pyrazol-3-yl]-5-methylphenol.

Molecular Properties

Compound Name2-[5-(2-chlorophenyl)-1H-pyrazol-3-yl]-5-methylphenol
PubChem CID698916
Molecular FormulaC16H13ClN2O
Molecular Weight284.75 g/mol
Exact Mass284.07
IUPAC Name2-[5-(2-chlorophenyl)-1H-pyrazol-3-yl]-5-methylphenol
SMILESCc1ccc(-c2cc(-c3ccccc3Cl)[nH]n2)c(O)c1
InChIInChI=1S/C16H13ClN2O/c1-10-6-7-12(16(20)8-10)15-9-14(18-19-15)11-4-2-3-5-13(11)17/h2-9,20H,1H3,(H,18,19)
InChIKeyYWJJPZQGZXAJDF-UHFFFAOYSA-N
XLogP4.41
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-chlorophenyl)-1H-pyrazol-3-yl]-5-methylphenol?
The IUPAC name of 2-[5-(2-chlorophenyl)-1H-pyrazol-3-yl]-5-methylphenol (CID 698916) is 2-[5-(2-chlorophenyl)-1H-pyrazol-3-yl]-5-methylphenol.
What is the SMILES notation for 2-[5-(2-chlorophenyl)-1H-pyrazol-3-yl]-5-methylphenol?
The canonical SMILES for 2-[5-(2-chlorophenyl)-1H-pyrazol-3-yl]-5-methylphenol is Cc1ccc(-c2cc(-c3ccccc3Cl)[nH]n2)c(O)c1.
What is the InChIKey of 2-[5-(2-chlorophenyl)-1H-pyrazol-3-yl]-5-methylphenol?
The InChIKey is YWJJPZQGZXAJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O/c1-10-6-7-12(16(20)8-10)15-9-14(18-19-15)11-4-2-3-5-13(11)17/h2-9,20H,1H3,(H,18,19).
What are the key properties of 2-[5-(2-chlorophenyl)-1H-pyrazol-3-yl]-5-methylphenol?
2-[5-(2-chlorophenyl)-1H-pyrazol-3-yl]-5-methylphenol has a molecular weight of 284.75 g/mol, XLogP of 4.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-chlorophenyl)-1H-pyrazol-3-yl]-5-methylphenol is sourced from PubChem (CID 698916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).