4-[5-(2,5-dimethylphenyl)-1-methylpyrazol-3-yl]phenol

C18H18N2O — CID 135546507

IUPAC4-[5-(2,5-dimethylphenyl)-1-methylpyrazol-3-yl]phenol
SMILESCc1ccc(C)c(-c2cc(-c3ccc(O)cc3)nn2C)c1
InChIInChI=1S/C18H18N2O/c1-12-4-5-13(2)16(10-12)18-11-17(19-20(18)3)14-6-8-15(21)9-7-14/h4-11,21H,1-3H3
InChIKeyIWYRPUOYJMGGCY-UHFFFAOYSA-N
MW278.36 g/mol
LogP4.08
Rot. Bonds2

About 4-[5-(2,5-dimethylphenyl)-1-methylpyrazol-3-yl]phenol

4-[5-(2,5-dimethylphenyl)-1-methylpyrazol-3-yl]phenol (PubChem CID 135546507) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 4-[5-(2,5-dimethylphenyl)-1-methylpyrazol-3-yl]phenol.

Molecular Properties

Compound Name4-[5-(2,5-dimethylphenyl)-1-methylpyrazol-3-yl]phenol
PubChem CID135546507
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name4-[5-(2,5-dimethylphenyl)-1-methylpyrazol-3-yl]phenol
SMILESCc1ccc(C)c(-c2cc(-c3ccc(O)cc3)nn2C)c1
InChIInChI=1S/C18H18N2O/c1-12-4-5-13(2)16(10-12)18-11-17(19-20(18)3)14-6-8-15(21)9-7-14/h4-11,21H,1-3H3
InChIKeyIWYRPUOYJMGGCY-UHFFFAOYSA-N
XLogP4.08
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(2,5-dimethylphenyl)-1-methylpyrazol-3-yl]phenol?
The IUPAC name of 4-[5-(2,5-dimethylphenyl)-1-methylpyrazol-3-yl]phenol (CID 135546507) is 4-[5-(2,5-dimethylphenyl)-1-methylpyrazol-3-yl]phenol.
What is the SMILES notation for 4-[5-(2,5-dimethylphenyl)-1-methylpyrazol-3-yl]phenol?
The canonical SMILES for 4-[5-(2,5-dimethylphenyl)-1-methylpyrazol-3-yl]phenol is Cc1ccc(C)c(-c2cc(-c3ccc(O)cc3)nn2C)c1.
What is the InChIKey of 4-[5-(2,5-dimethylphenyl)-1-methylpyrazol-3-yl]phenol?
The InChIKey is IWYRPUOYJMGGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-12-4-5-13(2)16(10-12)18-11-17(19-20(18)3)14-6-8-15(21)9-7-14/h4-11,21H,1-3H3.
What are the key properties of 4-[5-(2,5-dimethylphenyl)-1-methylpyrazol-3-yl]phenol?
4-[5-(2,5-dimethylphenyl)-1-methylpyrazol-3-yl]phenol has a molecular weight of 278.36 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2,5-dimethylphenyl)-1-methylpyrazol-3-yl]phenol is sourced from PubChem (CID 135546507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).