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

C11H6ClF3N2O2 — CID 171349224

IUPAC(5-chloro-2-hydroxyphenyl)-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone
SMILESO=C(c1cc(C(F)(F)F)[nH]n1)c1cc(Cl)ccc1O
InChIInChI=1S/C11H6ClF3N2O2/c12-5-1-2-8(18)6(3-5)10(19)7-4-9(17-16-7)11(13,14)15/h1-4,18H,(H,16,17)
InChIKeyUAOWYFVASWVCQH-UHFFFAOYSA-N
MW290.63 g/mol
LogP3.02
Rot. Bonds2

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

(5-chloro-2-hydroxyphenyl)-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone (PubChem CID 171349224) has the molecular formula C11H6ClF3N2O2 and a molecular weight of 290.63 g/mol. Its IUPAC name is (5-chloro-2-hydroxyphenyl)-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone.

Molecular Properties

Compound Name(5-chloro-2-hydroxyphenyl)-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone
PubChem CID171349224
Molecular FormulaC11H6ClF3N2O2
Molecular Weight290.63 g/mol
Exact Mass290.01
IUPAC Name(5-chloro-2-hydroxyphenyl)-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone
SMILESO=C(c1cc(C(F)(F)F)[nH]n1)c1cc(Cl)ccc1O
InChIInChI=1S/C11H6ClF3N2O2/c12-5-1-2-8(18)6(3-5)10(19)7-4-9(17-16-7)11(13,14)15/h1-4,18H,(H,16,17)
InChIKeyUAOWYFVASWVCQH-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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Related Compounds

N-(2-fluoro-5-methylphenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 19508169
methyl 2-hydroxy-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzoate
CID 136609734
[4-bromo-2-(trifluoromethyl)phenyl]-(5-chloro-2-hydroxyphenyl)methanone
CID 58962414
(5-chloro-2-hydroxyphenyl)-(3,5-dichlorophenyl)methanone
CID 58962676
(7-chloro-5-methyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone
CID 136550889
N,N-dimethyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 1229878
5-(5-chloro-2-hydroxybenzoyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 2537858
N-[4-chloro-2-(2-hydroxypropan-2-ylcarbamoyl)-6-methylphenyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 143049979
5-(trifluoromethyl)-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxamide
CID 19508083
N-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carbohydrazide
CID 178112245
4-[(4-chlorophenyl)methoxy]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
CID 137183395
5-chloro-2-hydroxybenzenecarbothioic S-acid;zinc
CID 88741905

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-hydroxyphenyl)-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone?
The IUPAC name of (5-chloro-2-hydroxyphenyl)-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone (CID 171349224) is (5-chloro-2-hydroxyphenyl)-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone.
What is the SMILES notation for (5-chloro-2-hydroxyphenyl)-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone?
The canonical SMILES for (5-chloro-2-hydroxyphenyl)-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone is O=C(c1cc(C(F)(F)F)[nH]n1)c1cc(Cl)ccc1O.
What is the InChIKey of (5-chloro-2-hydroxyphenyl)-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone?
The InChIKey is UAOWYFVASWVCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClF3N2O2/c12-5-1-2-8(18)6(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 (5-chloro-2-hydroxyphenyl)-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone?
(5-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 (5-chloro-2-hydroxyphenyl)-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone is sourced from PubChem (CID 171349224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).