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

C16H10ClF3N2O2 — CID 1398319

IUPAC4-[4-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzene-1,3-diol
SMILESOc1ccc(-c2n[nH]c(C(F)(F)F)c2-c2ccc(Cl)cc2)c(O)c1
InChIInChI=1S/C16H10ClF3N2O2/c17-9-3-1-8(2-4-9)13-14(21-22-15(13)16(18,19)20)11-6-5-10(23)7-12(11)24/h1-7,23-24H,(H,21,22)
InChIKeyJEEQHUUJEKDZHQ-UHFFFAOYSA-N
MW354.72 g/mol
LogP4.83
Rot. Bonds2

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

4-[4-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzene-1,3-diol (PubChem CID 1398319) has the molecular formula C16H10ClF3N2O2 and a molecular weight of 354.72 g/mol. Its IUPAC name is 4-[4-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[4-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzene-1,3-diol
PubChem CID1398319
Molecular FormulaC16H10ClF3N2O2
Molecular Weight354.72 g/mol
Exact Mass354.04
IUPAC Name4-[4-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzene-1,3-diol
SMILESOc1ccc(-c2n[nH]c(C(F)(F)F)c2-c2ccc(Cl)cc2)c(O)c1
InChIInChI=1S/C16H10ClF3N2O2/c17-9-3-1-8(2-4-9)13-14(21-22-15(13)16(18,19)20)11-6-5-10(23)7-12(11)24/h1-7,23-24H,(H,21,22)
InChIKeyJEEQHUUJEKDZHQ-UHFFFAOYSA-N
XLogP4.83
TPSA69.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.72
LogP ≤ 54.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzene-1,3-diol?
The IUPAC name of 4-[4-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzene-1,3-diol (CID 1398319) is 4-[4-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzene-1,3-diol.
What is the SMILES notation for 4-[4-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzene-1,3-diol?
The canonical SMILES for 4-[4-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzene-1,3-diol is Oc1ccc(-c2n[nH]c(C(F)(F)F)c2-c2ccc(Cl)cc2)c(O)c1.
What is the InChIKey of 4-[4-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzene-1,3-diol?
The InChIKey is JEEQHUUJEKDZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF3N2O2/c17-9-3-1-8(2-4-9)13-14(21-22-15(13)16(18,19)20)11-6-5-10(23)7-12(11)24/h1-7,23-24H,(H,21,22).
What are the key properties of 4-[4-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzene-1,3-diol?
4-[4-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzene-1,3-diol has a molecular weight of 354.72 g/mol, XLogP of 4.83, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzene-1,3-diol is sourced from PubChem (CID 1398319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).