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

C17H16N2O — CID 135465890

IUPAC4,5-dimethyl-2-(3-phenyl-1H-pyrazol-5-yl)phenol
SMILESCc1cc(O)c(-c2cc(-c3ccccc3)n[nH]2)cc1C
InChIInChI=1S/C17H16N2O/c1-11-8-14(17(20)9-12(11)2)16-10-15(18-19-16)13-6-4-3-5-7-13/h3-10,20H,1-2H3,(H,18,19)
InChIKeyWOENIPNSDYRCNF-UHFFFAOYSA-N
MW264.33 g/mol
LogP4.07
Rot. Bonds2

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

4,5-dimethyl-2-(3-phenyl-1H-pyrazol-5-yl)phenol (PubChem CID 135465890) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 4,5-dimethyl-2-(3-phenyl-1H-pyrazol-5-yl)phenol.

Molecular Properties

Compound Name4,5-dimethyl-2-(3-phenyl-1H-pyrazol-5-yl)phenol
PubChem CID135465890
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name4,5-dimethyl-2-(3-phenyl-1H-pyrazol-5-yl)phenol
SMILESCc1cc(O)c(-c2cc(-c3ccccc3)n[nH]2)cc1C
InChIInChI=1S/C17H16N2O/c1-11-8-14(17(20)9-12(11)2)16-10-15(18-19-16)13-6-4-3-5-7-13/h3-10,20H,1-2H3,(H,18,19)
InChIKeyWOENIPNSDYRCNF-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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Related Compounds

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CID 137186634
4-(3-phenyl-1H-pyrazol-5-yl)benzene-1,3-diol
CID 165349961
5-(4-methylphenyl)-3-phenyl-1H-pyrazole
CID 11506914
4-methyl-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]phenol
CID 781234
4-hydroxy-3-(3-phenyl-1H-pyrazol-5-yl)benzamide
CID 135412754
4-(5-phenyl-1H-pyrazol-3-yl)benzene-1,2-diol
CID 136610688
2-[4-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1H-pyrazol-5-yl]phenol
CID 135458161
2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]aniline
CID 10682079
2-[3-(4-bromophenyl)-1H-pyrazol-5-yl]-4-methylphenol
CID 916137
2,4-dichloro-6-(3-phenyl-1H-pyrazol-5-yl)phenol
CID 137234781
4-methyl-2-[3-(4-sulfanylphenyl)-1H-pyrazol-5-yl]phenol
CID 136622224
2-[3-(4-bromophenyl)-1H-pyrazol-5-yl]-5-methylphenol
CID 2848299

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-(3-phenyl-1H-pyrazol-5-yl)phenol?
The IUPAC name of 4,5-dimethyl-2-(3-phenyl-1H-pyrazol-5-yl)phenol (CID 135465890) is 4,5-dimethyl-2-(3-phenyl-1H-pyrazol-5-yl)phenol.
What is the SMILES notation for 4,5-dimethyl-2-(3-phenyl-1H-pyrazol-5-yl)phenol?
The canonical SMILES for 4,5-dimethyl-2-(3-phenyl-1H-pyrazol-5-yl)phenol is Cc1cc(O)c(-c2cc(-c3ccccc3)n[nH]2)cc1C.
What is the InChIKey of 4,5-dimethyl-2-(3-phenyl-1H-pyrazol-5-yl)phenol?
The InChIKey is WOENIPNSDYRCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-11-8-14(17(20)9-12(11)2)16-10-15(18-19-16)13-6-4-3-5-7-13/h3-10,20H,1-2H3,(H,18,19).
What are the key properties of 4,5-dimethyl-2-(3-phenyl-1H-pyrazol-5-yl)phenol?
4,5-dimethyl-2-(3-phenyl-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 4,5-dimethyl-2-(3-phenyl-1H-pyrazol-5-yl)phenol is sourced from PubChem (CID 135465890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).