5-(4-bromophenyl)-2-(7-chloroquinolin-4-yl)-3-(trifluoromethyl)-4H-pyrazol-3-ol

C19H12BrClF3N3O — CID 11583640

IUPAC5-(4-bromophenyl)-2-(7-chloroquinolin-4-yl)-3-(trifluoromethyl)-4H-pyrazol-3-ol
SMILESOC1(C(F)(F)F)CC(c2ccc(Br)cc2)=NN1c1ccnc2cc(Cl)ccc12
InChIInChI=1S/C19H12BrClF3N3O/c20-12-3-1-11(2-4-12)16-10-18(28,19(22,23)24)27(26-16)17-7-8-25-15-9-13(21)5-6-14(15)17/h1-9,28H,10H2
InChIKeyHIIZYULEWVDCPP-UHFFFAOYSA-N
MW470.68 g/mol
LogP5.52
Rot. Bonds2

About 5-(4-bromophenyl)-2-(7-chloroquinolin-4-yl)-3-(trifluoromethyl)-4H-pyrazol-3-ol

5-(4-bromophenyl)-2-(7-chloroquinolin-4-yl)-3-(trifluoromethyl)-4H-pyrazol-3-ol (PubChem CID 11583640) has the molecular formula C19H12BrClF3N3O and a molecular weight of 470.68 g/mol. Its IUPAC name is 5-(4-bromophenyl)-2-(7-chloroquinolin-4-yl)-3-(trifluoromethyl)-4H-pyrazol-3-ol.

Molecular Properties

Compound Name5-(4-bromophenyl)-2-(7-chloroquinolin-4-yl)-3-(trifluoromethyl)-4H-pyrazol-3-ol
PubChem CID11583640
Molecular FormulaC19H12BrClF3N3O
Molecular Weight470.68 g/mol
Exact Mass468.98
IUPAC Name5-(4-bromophenyl)-2-(7-chloroquinolin-4-yl)-3-(trifluoromethyl)-4H-pyrazol-3-ol
SMILESOC1(C(F)(F)F)CC(c2ccc(Br)cc2)=NN1c1ccnc2cc(Cl)ccc12
InChIInChI=1S/C19H12BrClF3N3O/c20-12-3-1-11(2-4-12)16-10-18(28,19(22,23)24)27(26-16)17-7-8-25-15-9-13(21)5-6-14(15)17/h1-9,28H,10H2
InChIKeyHIIZYULEWVDCPP-UHFFFAOYSA-N
XLogP5.52
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.68
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_5_C(2)', 'substructure': 'N/A'}

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Related Compounds

4-[3-(4-bromophenyl)-5-(trifluoromethyl)pyrazol-1-yl]-7-chloroquinoline
CID 11597637
2-(7-chloroquinolin-4-yl)-3-(trifluoromethyl)-4,5,6,7,8,9,10,11,12,13-decahydro-3aH-cyclododeca[c]pyrazol-3-ol
CID 42643490
3-(4-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazole-1-carbaldehyde
CID 3951734
1-(7-chloroquinolin-4-yl)pyrrolidine-3,4-diol
CID 106673359
(3R)-5-(4-bromophenyl)-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)-4H-pyrazol-3-ol
CID 40792990
5-(4-bromophenyl)-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)-4H-pyrazol-3-ol
CID 4873398
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-phenyl-3-(trifluoromethyl)-4H-pyrazol-3-ol
CID 4987184
(3S)-2-(8-amino-9H-[1,2,4]triazolo[1,5-d][1,2,4]triazepin-5-yl)-5-(4-bromophenyl)-3-(trifluoromethyl)-4H-pyrazol-3-ol
CID 1493547
2-(8-amino-9H-[1,2,4]triazolo[1,5-d][1,2,4]triazepin-5-yl)-5-(4-bromophenyl)-3-(trifluoromethyl)-4H-pyrazol-3-ol
CID 4670541
2-(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-5-(4-chlorophenyl)-3-(trifluoromethyl)-4H-pyrazol-3-ol
CID 4191097
[3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-methylphenyl)methanone
CID 2916640
[(5S)-3-(4-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-thiophen-2-ylmethanone
CID 92651944

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-2-(7-chloroquinolin-4-yl)-3-(trifluoromethyl)-4H-pyrazol-3-ol?
The IUPAC name of 5-(4-bromophenyl)-2-(7-chloroquinolin-4-yl)-3-(trifluoromethyl)-4H-pyrazol-3-ol (CID 11583640) is 5-(4-bromophenyl)-2-(7-chloroquinolin-4-yl)-3-(trifluoromethyl)-4H-pyrazol-3-ol.
What is the SMILES notation for 5-(4-bromophenyl)-2-(7-chloroquinolin-4-yl)-3-(trifluoromethyl)-4H-pyrazol-3-ol?
The canonical SMILES for 5-(4-bromophenyl)-2-(7-chloroquinolin-4-yl)-3-(trifluoromethyl)-4H-pyrazol-3-ol is OC1(C(F)(F)F)CC(c2ccc(Br)cc2)=NN1c1ccnc2cc(Cl)ccc12.
What is the InChIKey of 5-(4-bromophenyl)-2-(7-chloroquinolin-4-yl)-3-(trifluoromethyl)-4H-pyrazol-3-ol?
The InChIKey is HIIZYULEWVDCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12BrClF3N3O/c20-12-3-1-11(2-4-12)16-10-18(28,19(22,23)24)27(26-16)17-7-8-25-15-9-13(21)5-6-14(15)17/h1-9,28H,10H2.
What are the key properties of 5-(4-bromophenyl)-2-(7-chloroquinolin-4-yl)-3-(trifluoromethyl)-4H-pyrazol-3-ol?
5-(4-bromophenyl)-2-(7-chloroquinolin-4-yl)-3-(trifluoromethyl)-4H-pyrazol-3-ol has a molecular weight of 470.68 g/mol, XLogP of 5.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-2-(7-chloroquinolin-4-yl)-3-(trifluoromethyl)-4H-pyrazol-3-ol is sourced from PubChem (CID 11583640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).