4-[4-(2-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzene-1,3-diol

C17H13F3N2O3 — CID 2040010

IUPAC4-[4-(2-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzene-1,3-diol
SMILESCOc1ccccc1-c1c(-c2ccc(O)cc2O)n[nH]c1C(F)(F)F
InChIInChI=1S/C17H13F3N2O3/c1-25-13-5-3-2-4-11(13)14-15(21-22-16(14)17(18,19)20)10-7-6-9(23)8-12(10)24/h2-8,23-24H,1H3,(H,21,22)
InChIKeyQMQLKXZRLSKARP-UHFFFAOYSA-N
MW350.30 g/mol
LogP4.18
Rot. Bonds3

About 4-[4-(2-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzene-1,3-diol

4-[4-(2-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzene-1,3-diol (PubChem CID 2040010) has the molecular formula C17H13F3N2O3 and a molecular weight of 350.30 g/mol. Its IUPAC name is 4-[4-(2-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[4-(2-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzene-1,3-diol
PubChem CID2040010
Molecular FormulaC17H13F3N2O3
Molecular Weight350.30 g/mol
Exact Mass350.09
IUPAC Name4-[4-(2-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzene-1,3-diol
SMILESCOc1ccccc1-c1c(-c2ccc(O)cc2O)n[nH]c1C(F)(F)F
InChIInChI=1S/C17H13F3N2O3/c1-25-13-5-3-2-4-11(13)14-15(21-22-16(14)17(18,19)20)10-7-6-9(23)8-12(10)24/h2-8,23-24H,1H3,(H,21,22)
InChIKeyQMQLKXZRLSKARP-UHFFFAOYSA-N
XLogP4.18
TPSA78.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzene-1,3-diol?
The IUPAC name of 4-[4-(2-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzene-1,3-diol (CID 2040010) is 4-[4-(2-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzene-1,3-diol.
What is the SMILES notation for 4-[4-(2-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzene-1,3-diol?
The canonical SMILES for 4-[4-(2-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzene-1,3-diol is COc1ccccc1-c1c(-c2ccc(O)cc2O)n[nH]c1C(F)(F)F.
What is the InChIKey of 4-[4-(2-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzene-1,3-diol?
The InChIKey is QMQLKXZRLSKARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O3/c1-25-13-5-3-2-4-11(13)14-15(21-22-16(14)17(18,19)20)10-7-6-9(23)8-12(10)24/h2-8,23-24H,1H3,(H,21,22).
What are the key properties of 4-[4-(2-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzene-1,3-diol?
4-[4-(2-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzene-1,3-diol has a molecular weight of 350.30 g/mol, XLogP of 4.18, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzene-1,3-diol is sourced from PubChem (CID 2040010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).