4-methyl-2-(3-phenyl-1H-pyrazol-5-yl)phenol

C16H14N2O — CID 781239

IUPAC4-methyl-2-(3-phenyl-1H-pyrazol-5-yl)phenol
SMILESCc1ccc(O)c(-c2cc(-c3ccccc3)n[nH]2)c1
InChIInChI=1S/C16H14N2O/c1-11-7-8-16(19)13(9-11)15-10-14(17-18-15)12-5-3-2-4-6-12/h2-10,19H,1H3,(H,17,18)
InChIKeyAQWKVJFRGORALM-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.76
Rot. Bonds2

About 4-methyl-2-(3-phenyl-1H-pyrazol-5-yl)phenol

4-methyl-2-(3-phenyl-1H-pyrazol-5-yl)phenol (PubChem CID 781239) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-methyl-2-(3-phenyl-1H-pyrazol-5-yl)phenol.

Molecular Properties

Compound Name4-methyl-2-(3-phenyl-1H-pyrazol-5-yl)phenol
PubChem CID781239
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name4-methyl-2-(3-phenyl-1H-pyrazol-5-yl)phenol
SMILESCc1ccc(O)c(-c2cc(-c3ccccc3)n[nH]2)c1
InChIInChI=1S/C16H14N2O/c1-11-7-8-16(19)13(9-11)15-10-14(17-18-15)12-5-3-2-4-6-12/h2-10,19H,1H3,(H,17,18)
InChIKeyAQWKVJFRGORALM-UHFFFAOYSA-N
XLogP3.76
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.76
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-phenyl-1H-pyrazol-5-yl)phenol?
The IUPAC name of 4-methyl-2-(3-phenyl-1H-pyrazol-5-yl)phenol (CID 781239) is 4-methyl-2-(3-phenyl-1H-pyrazol-5-yl)phenol.
What is the SMILES notation for 4-methyl-2-(3-phenyl-1H-pyrazol-5-yl)phenol?
The canonical SMILES for 4-methyl-2-(3-phenyl-1H-pyrazol-5-yl)phenol is Cc1ccc(O)c(-c2cc(-c3ccccc3)n[nH]2)c1.
What is the InChIKey of 4-methyl-2-(3-phenyl-1H-pyrazol-5-yl)phenol?
The InChIKey is AQWKVJFRGORALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-11-7-8-16(19)13(9-11)15-10-14(17-18-15)12-5-3-2-4-6-12/h2-10,19H,1H3,(H,17,18).
What are the key properties of 4-methyl-2-(3-phenyl-1H-pyrazol-5-yl)phenol?
4-methyl-2-(3-phenyl-1H-pyrazol-5-yl)phenol has a molecular weight of 250.30 g/mol, XLogP of 3.76, 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-phenyl-1H-pyrazol-5-yl)phenol is sourced from PubChem (CID 781239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).