(4-chloro-2-hydroxyphenyl)-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone

C11H6ClF3N2O2 — CID 171357088

IUPAC(4-chloro-2-hydroxyphenyl)-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone
SMILESO=C(c1cc(C(F)(F)F)[nH]n1)c1ccc(Cl)cc1O
InChIInChI=1S/C11H6ClF3N2O2/c12-5-1-2-6(8(18)3-5)10(19)7-4-9(17-16-7)11(13,14)15/h1-4,18H,(H,16,17)
InChIKeyUEPBPKLVWVGUQA-UHFFFAOYSA-N
MW290.63 g/mol
LogP3.02
Rot. Bonds2

About (4-chloro-2-hydroxyphenyl)-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone

(4-chloro-2-hydroxyphenyl)-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone (PubChem CID 171357088) has the molecular formula C11H6ClF3N2O2 and a molecular weight of 290.63 g/mol. Its IUPAC name is (4-chloro-2-hydroxyphenyl)-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone.

Molecular Properties

Compound Name(4-chloro-2-hydroxyphenyl)-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone
PubChem CID171357088
Molecular FormulaC11H6ClF3N2O2
Molecular Weight290.63 g/mol
Exact Mass290.01
IUPAC Name(4-chloro-2-hydroxyphenyl)-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone
SMILESO=C(c1cc(C(F)(F)F)[nH]n1)c1ccc(Cl)cc1O
InChIInChI=1S/C11H6ClF3N2O2/c12-5-1-2-6(8(18)3-5)10(19)7-4-9(17-16-7)11(13,14)15/h1-4,18H,(H,16,17)
InChIKeyUEPBPKLVWVGUQA-UHFFFAOYSA-N
XLogP3.02
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.63
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-hydroxyphenyl)-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone?
The IUPAC name of (4-chloro-2-hydroxyphenyl)-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone (CID 171357088) is (4-chloro-2-hydroxyphenyl)-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone.
What is the SMILES notation for (4-chloro-2-hydroxyphenyl)-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone?
The canonical SMILES for (4-chloro-2-hydroxyphenyl)-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone is O=C(c1cc(C(F)(F)F)[nH]n1)c1ccc(Cl)cc1O.
What is the InChIKey of (4-chloro-2-hydroxyphenyl)-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone?
The InChIKey is UEPBPKLVWVGUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClF3N2O2/c12-5-1-2-6(8(18)3-5)10(19)7-4-9(17-16-7)11(13,14)15/h1-4,18H,(H,16,17).
What are the key properties of (4-chloro-2-hydroxyphenyl)-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone?
(4-chloro-2-hydroxyphenyl)-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone has a molecular weight of 290.63 g/mol, XLogP of 3.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-hydroxyphenyl)-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone is sourced from PubChem (CID 171357088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).