(4-chlorophenyl)-[5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone

C17H12ClF3N2O2 — CID 3753867

IUPAC(4-chlorophenyl)-[5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1N=C(c2ccccc2)CC1(O)C(F)(F)F
InChIInChI=1S/C17H12ClF3N2O2/c18-13-8-6-12(7-9-13)15(24)23-16(25,17(19,20)21)10-14(22-23)11-4-2-1-3-5-11/h1-9,25H,10H2
InChIKeyYVXWMEBUEDIYPP-UHFFFAOYSA-N
MW368.74 g/mol
LogP3.84
Rot. Bonds2

About (4-chlorophenyl)-[5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone

(4-chlorophenyl)-[5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone (PubChem CID 3753867) has the molecular formula C17H12ClF3N2O2 and a molecular weight of 368.74 g/mol. Its IUPAC name is (4-chlorophenyl)-[5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
PubChem CID3753867
Molecular FormulaC17H12ClF3N2O2
Molecular Weight368.74 g/mol
Exact Mass368.05
IUPAC Name(4-chlorophenyl)-[5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1N=C(c2ccccc2)CC1(O)C(F)(F)F
InChIInChI=1S/C17H12ClF3N2O2/c18-13-8-6-12(7-9-13)15(24)23-16(25,17(19,20)21)10-14(22-23)11-4-2-1-3-5-11/h1-9,25H,10H2
InChIKeyYVXWMEBUEDIYPP-UHFFFAOYSA-N
XLogP3.84
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.74
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chlorophenyl)-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)methanone
CID 2845040
(4-Chloro-phenyl)-[3-(4-chloro-phenyl)-5-hydroxy-5-methyl-4,5-dihydro-pyrazol-1-yl]-methanone
CID 3100400
(4-Chloro-phenyl)-(3-ethyl-5-hydroxy-5-p-tolyl-4,5-dihydro-pyrazol-1-yl)-methanone
CID 3107186
5-(4-chlorophenyl)-1-(2-fluorobenzoyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-ol
CID 3113628
[5-(4-chlorophenyl)-5-hydroxy-3-methyl-4,5-dihydro-1H-pyrazol-1-yl](2-methylphenyl)methanone
CID 3113629
[3-(4-chlorophenyl)-5,6-dihydro-1(4H)-pyridazinyl](phenyl)methanone
CID 1488624
(4-chlorophenyl)[3-phenyl-5,6-dihydro-1(4H)-pyridazinyl]methanone
CID 1484237
2-[3-(4-Chlorobenzyl)-4-oxo-3,4-dihydro-1-phthalazinyl]acetic acid
CID 1486105
(4-Chloro-3-trifluoromethyl-phenyl)-(3-phenyl-5,6-dihydro-4H-pyridazin-1-yl)-methanone
CID 10618939
1-benzoyl-5-phenyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
CID 2845036
(4-Chloro-phenyl)-(3-ethyl-5-hydroxy-5-phenyl-4,5-dihydro-pyrazol-1-yl)-methanone
CID 2857540
(2-chlorophenyl)-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)methanone
CID 2868929

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone (CID 3753867) is (4-chlorophenyl)-[5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone is O=C(c1ccc(Cl)cc1)N1N=C(c2ccccc2)CC1(O)C(F)(F)F.
What is the InChIKey of (4-chlorophenyl)-[5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone?
The InChIKey is YVXWMEBUEDIYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF3N2O2/c18-13-8-6-12(7-9-13)15(24)23-16(25,17(19,20)21)10-14(22-23)11-4-2-1-3-5-11/h1-9,25H,10H2.
What are the key properties of (4-chlorophenyl)-[5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone?
(4-chlorophenyl)-[5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone has a molecular weight of 368.74 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone is sourced from PubChem (CID 3753867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).