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

C17H16N2O — CID 775988

IUPAC5-methyl-2-[5-(2-methylphenyl)-1H-pyrazol-3-yl]phenol
SMILESCc1ccc(-c2cc(-c3ccccc3C)[nH]n2)c(O)c1
InChIInChI=1S/C17H16N2O/c1-11-7-8-14(17(20)9-11)16-10-15(18-19-16)13-6-4-3-5-12(13)2/h3-10,20H,1-2H3,(H,18,19)
InChIKeyPMDHWVIOORBBDI-UHFFFAOYSA-N
MW264.33 g/mol
LogP4.07
Rot. Bonds2

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

5-methyl-2-[5-(2-methylphenyl)-1H-pyrazol-3-yl]phenol (PubChem CID 775988) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 5-methyl-2-[5-(2-methylphenyl)-1H-pyrazol-3-yl]phenol.

Molecular Properties

Compound Name5-methyl-2-[5-(2-methylphenyl)-1H-pyrazol-3-yl]phenol
PubChem CID775988
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name5-methyl-2-[5-(2-methylphenyl)-1H-pyrazol-3-yl]phenol
SMILESCc1ccc(-c2cc(-c3ccccc3C)[nH]n2)c(O)c1
InChIInChI=1S/C17H16N2O/c1-11-7-8-14(17(20)9-11)16-10-15(18-19-16)13-6-4-3-5-12(13)2/h3-10,20H,1-2H3,(H,18,19)
InChIKeyPMDHWVIOORBBDI-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

Analyze 5-methyl-2-[5-(2-methylphenyl)-1H-pyrazol-3-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[5-(2-methylphenyl)-1H-pyrazol-3-yl]phenol?
The IUPAC name of 5-methyl-2-[5-(2-methylphenyl)-1H-pyrazol-3-yl]phenol (CID 775988) is 5-methyl-2-[5-(2-methylphenyl)-1H-pyrazol-3-yl]phenol.
What is the SMILES notation for 5-methyl-2-[5-(2-methylphenyl)-1H-pyrazol-3-yl]phenol?
The canonical SMILES for 5-methyl-2-[5-(2-methylphenyl)-1H-pyrazol-3-yl]phenol is Cc1ccc(-c2cc(-c3ccccc3C)[nH]n2)c(O)c1.
What is the InChIKey of 5-methyl-2-[5-(2-methylphenyl)-1H-pyrazol-3-yl]phenol?
The InChIKey is PMDHWVIOORBBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-11-7-8-14(17(20)9-11)16-10-15(18-19-16)13-6-4-3-5-12(13)2/h3-10,20H,1-2H3,(H,18,19).
What are the key properties of 5-methyl-2-[5-(2-methylphenyl)-1H-pyrazol-3-yl]phenol?
5-methyl-2-[5-(2-methylphenyl)-1H-pyrazol-3-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 5-methyl-2-[5-(2-methylphenyl)-1H-pyrazol-3-yl]phenol is sourced from PubChem (CID 775988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).