[(5R)-5-(4-bromophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]-(3-methylphenyl)methanone

C19H19BrN2O2 — CID 7169181

IUPAC[(5R)-5-(4-bromophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]-(3-methylphenyl)methanone
SMILESCCC1=NN(C(=O)c2cccc(C)c2)[C@](O)(c2ccc(Br)cc2)C1
InChIInChI=1S/C19H19BrN2O2/c1-3-17-12-19(24,15-7-9-16(20)10-8-15)22(21-17)18(23)14-6-4-5-13(2)11-14/h4-11,24H,3,12H2,1-2H3/t19-/m1/s1
InChIKeyONBDABJGYOFPAF-LJQANCHMSA-N
MW387.28 g/mol
LogP4.21
Rot. Bonds3

About [(5R)-5-(4-bromophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]-(3-methylphenyl)methanone

[(5R)-5-(4-bromophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]-(3-methylphenyl)methanone (PubChem CID 7169181) has the molecular formula C19H19BrN2O2 and a molecular weight of 387.28 g/mol. Its IUPAC name is [(5R)-5-(4-bromophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]-(3-methylphenyl)methanone.

Molecular Properties

Compound Name[(5R)-5-(4-bromophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]-(3-methylphenyl)methanone
PubChem CID7169181
Molecular FormulaC19H19BrN2O2
Molecular Weight387.28 g/mol
Exact Mass386.06
IUPAC Name[(5R)-5-(4-bromophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]-(3-methylphenyl)methanone
SMILESCCC1=NN(C(=O)c2cccc(C)c2)[C@](O)(c2ccc(Br)cc2)C1
InChIInChI=1S/C19H19BrN2O2/c1-3-17-12-19(24,15-7-9-16(20)10-8-15)22(21-17)18(23)14-6-4-5-13(2)11-14/h4-11,24H,3,12H2,1-2H3/t19-/m1/s1
InChIKeyONBDABJGYOFPAF-LJQANCHMSA-N
XLogP4.21
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.28
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromophenyl)-(3-ethyl-5-hydroxy-5-pyridin-3-yl-4H-pyrazol-1-yl)methanone
CID 3141319
1-[5-(4-bromophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]-2-(4-methylphenyl)ethanone
CID 3115680
(3-bromophenyl)-[(5R)-5-hydroxy-3-methyl-5-(4-nitrophenyl)-4H-pyrazol-1-yl]methanone
CID 40513548
(4-bromophenyl)-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)methanone
CID 2884136
[(5S)-5-(4-bromophenyl)-5-hydroxy-3-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone
CID 1095423
(2-bromophenyl)-(3-ethyl-5-hydroxy-5-pyridin-4-yl-4H-pyrazol-1-yl)methanone
CID 2880611
methyl (5R)-1-(3-bromobenzoyl)-5-(4-chlorophenyl)-5-hydroxy-4H-pyrazole-3-carboxylate
CID 1368104
[(5R)-3-ethyl-5-hydroxy-5-phenyl-4H-pyrazol-1-yl]-(4-nitrophenyl)methanone
CID 713961
[(5R)-5-hydroxy-3-methyl-5-(4-methylphenyl)-4H-pyrazol-1-yl]-phenylmethanone
CID 1387345
[(5R)-5-(4-chlorophenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-(3-hydroxyphenyl)methanone
CID 780777
ethyl (3R)-3-hydroxy-5-methyl-2-(3-methylbenzoyl)-4H-pyrazole-3-carboxylate
CID 695179
[3-ethyl-5-hydroxy-5-(4-methoxyphenyl)-4H-pyrazol-1-yl]-(2-hydroxy-3-methylphenyl)methanone
CID 3115691

Frequently Asked Questions

What is the IUPAC name of [(5R)-5-(4-bromophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]-(3-methylphenyl)methanone?
The IUPAC name of [(5R)-5-(4-bromophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]-(3-methylphenyl)methanone (CID 7169181) is [(5R)-5-(4-bromophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]-(3-methylphenyl)methanone.
What is the SMILES notation for [(5R)-5-(4-bromophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]-(3-methylphenyl)methanone?
The canonical SMILES for [(5R)-5-(4-bromophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]-(3-methylphenyl)methanone is CCC1=NN(C(=O)c2cccc(C)c2)[C@](O)(c2ccc(Br)cc2)C1.
What is the InChIKey of [(5R)-5-(4-bromophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]-(3-methylphenyl)methanone?
The InChIKey is ONBDABJGYOFPAF-LJQANCHMSA-N. The full InChI is InChI=1S/C19H19BrN2O2/c1-3-17-12-19(24,15-7-9-16(20)10-8-15)22(21-17)18(23)14-6-4-5-13(2)11-14/h4-11,24H,3,12H2,1-2H3/t19-/m1/s1.
What are the key properties of [(5R)-5-(4-bromophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]-(3-methylphenyl)methanone?
[(5R)-5-(4-bromophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]-(3-methylphenyl)methanone has a molecular weight of 387.28 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-5-(4-bromophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]-(3-methylphenyl)methanone is sourced from PubChem (CID 7169181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).