4-methyl-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]phenol

C17H16N2O — CID 781234

IUPAC4-methyl-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]phenol
SMILESCc1ccc(-c2cc(-c3cc(C)ccc3O)[nH]n2)cc1
InChIInChI=1S/C17H16N2O/c1-11-3-6-13(7-4-11)15-10-16(19-18-15)14-9-12(2)5-8-17(14)20/h3-10,20H,1-2H3,(H,18,19)
InChIKeyYUUHIRULQJGASW-UHFFFAOYSA-N
MW264.33 g/mol
LogP4.07
Rot. Bonds2

About 4-methyl-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]phenol

4-methyl-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]phenol (PubChem CID 781234) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 4-methyl-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]phenol.

Molecular Properties

Compound Name4-methyl-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]phenol
PubChem CID781234
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name4-methyl-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]phenol
SMILESCc1ccc(-c2cc(-c3cc(C)ccc3O)[nH]n2)cc1
InChIInChI=1S/C17H16N2O/c1-11-3-6-13(7-4-11)15-10-16(19-18-15)14-9-12(2)5-8-17(14)20/h3-10,20H,1-2H3,(H,18,19)
InChIKeyYUUHIRULQJGASW-UHFFFAOYSA-N
XLogP4.07
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]phenol?
The IUPAC name of 4-methyl-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]phenol (CID 781234) is 4-methyl-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]phenol.
What is the SMILES notation for 4-methyl-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]phenol?
The canonical SMILES for 4-methyl-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]phenol is Cc1ccc(-c2cc(-c3cc(C)ccc3O)[nH]n2)cc1.
What is the InChIKey of 4-methyl-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]phenol?
The InChIKey is YUUHIRULQJGASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-11-3-6-13(7-4-11)15-10-16(19-18-15)14-9-12(2)5-8-17(14)20/h3-10,20H,1-2H3,(H,18,19).
What are the key properties of 4-methyl-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]phenol?
4-methyl-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]phenol has a molecular weight of 264.33 g/mol, XLogP of 4.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]phenol is sourced from PubChem (CID 781234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).