4-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzene-1,3-diol

C16H11F3N2O2 — CID 939600

IUPAC4-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzene-1,3-diol
SMILESOc1ccc(-c2n[nH]c(C(F)(F)F)c2-c2ccccc2)c(O)c1
InChIInChI=1S/C16H11F3N2O2/c17-16(18,19)15-13(9-4-2-1-3-5-9)14(20-21-15)11-7-6-10(22)8-12(11)23/h1-8,22-23H,(H,20,21)
InChIKeyYNCLRQFKIQTLSJ-UHFFFAOYSA-N
MW320.27 g/mol
LogP4.17
Rot. Bonds2

About 4-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzene-1,3-diol

4-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzene-1,3-diol (PubChem CID 939600) has the molecular formula C16H11F3N2O2 and a molecular weight of 320.27 g/mol. Its IUPAC name is 4-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzene-1,3-diol
PubChem CID939600
Molecular FormulaC16H11F3N2O2
Molecular Weight320.27 g/mol
Exact Mass320.08
IUPAC Name4-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzene-1,3-diol
SMILESOc1ccc(-c2n[nH]c(C(F)(F)F)c2-c2ccccc2)c(O)c1
InChIInChI=1S/C16H11F3N2O2/c17-16(18,19)15-13(9-4-2-1-3-5-9)14(20-21-15)11-7-6-10(22)8-12(11)23/h1-8,22-23H,(H,20,21)
InChIKeyYNCLRQFKIQTLSJ-UHFFFAOYSA-N
XLogP4.17
TPSA69.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,4-Dihydroxyphenyl)-4-(4-methoxyphenyl)-5-methyl-1H-pyrazole
CID 764764
4-(6-hydroxy-1H-indazol-3-yl)benzene-1,3-diol
CID 135566322
5-methoxy-2-[4-(2-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]phenol
CID 947248
4-[4-(4-methoxyphenyl)-1H-pyrazol-3-yl]benzene-1,3-diol
CID 947289
Vrt-532
CID 781239
2-[5-(2-Fluorophenyl)-1H-pyrazol-3-yl]phenol
CID 136226476
2-[5-(1,1,2,2-tetrafluoroethyl)-1H-pyrazol-3-yl]phenol
CID 762936
2-[5-(4-Fluoro-phenyl)-1H-pyrazol-3-yl]-phenol
CID 759784
2-[5-(4-Fluoro-phenyl)-1H-pyrazol-3-yl]-5-methyl-phenol
CID 781217
5-methoxy-2-[5-(4-methylphenyl)-1H-pyrazol-3-yl]phenol
CID 874817
2-(5-phenyl-1H-pyrazol-3-yl)phenol
CID 781202
5-methoxy-2-[4-(4-methoxyphenyl)-1H-pyrazol-3-yl]phenol
CID 945537

Frequently Asked Questions

What is the IUPAC name of 4-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzene-1,3-diol?
The IUPAC name of 4-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzene-1,3-diol (CID 939600) is 4-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzene-1,3-diol.
What is the SMILES notation for 4-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzene-1,3-diol?
The canonical SMILES for 4-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzene-1,3-diol is Oc1ccc(-c2n[nH]c(C(F)(F)F)c2-c2ccccc2)c(O)c1.
What is the InChIKey of 4-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzene-1,3-diol?
The InChIKey is YNCLRQFKIQTLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O2/c17-16(18,19)15-13(9-4-2-1-3-5-9)14(20-21-15)11-7-6-10(22)8-12(11)23/h1-8,22-23H,(H,20,21).
What are the key properties of 4-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzene-1,3-diol?
4-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzene-1,3-diol has a molecular weight of 320.27 g/mol, XLogP of 4.17, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzene-1,3-diol is sourced from PubChem (CID 939600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).