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

C19H19BrN2O2 — CID 3120301

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

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

[5-(4-bromophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]-(4-methylphenyl)methanone (PubChem CID 3120301) has the molecular formula C19H19BrN2O2 and a molecular weight of 387.28 g/mol. Its IUPAC name is [5-(4-bromophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[5-(4-bromophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]-(4-methylphenyl)methanone
PubChem CID3120301
Molecular FormulaC19H19BrN2O2
Molecular Weight387.28 g/mol
Exact Mass386.06
IUPAC Name[5-(4-bromophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]-(4-methylphenyl)methanone
SMILESCCC1=NN(C(=O)c2ccc(C)cc2)C(O)(c2ccc(Br)cc2)C1
InChIInChI=1S/C19H19BrN2O2/c1-3-17-12-19(24,15-8-10-16(20)11-9-15)22(21-17)18(23)14-6-4-13(2)5-7-14/h4-11,24H,3,12H2,1-2H3
InChIKeyKURSOCQBAGFECW-UHFFFAOYSA-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

[5-(4-bromophenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-phenylmethanone
CID 2859494
1-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)-2-phenylethanone
CID 2857573
1-(4-bromobenzoyl)-3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-5-ol
CID 2884136
1-(4-bromobenzoyl)-3-ethyl-5-phenyl-4,5-dihydro-1H-pyrazol-5-ol
CID 3107190
(3-bromophenyl)-[5-(4-bromophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]methanone
CID 3115676
1-(2-bromobenzoyl)-5-(4-bromophenyl)-3-ethyl-4,5-dihydro-1H-pyrazol-5-ol
CID 3115677
1-benzoyl-5-phenyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
CID 2845036
2-Pyrazolin-5-ol, 5-(4-bromophenyl)-3-trifluoromethyl-1-(3-methylbenzoyl)-
CID 577012
[3-(4-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3-methylphenyl)methanone
CID 2869549
(4-bromophenyl)-[3-ethyl-5-hydroxy-5-(4-methylphenyl)-4H-pyrazol-1-yl]methanone
CID 3113616
(2-bromophenyl)[5-(4-chlorophenyl)-5-hydroxy-3-methyl-4,5-dihydro-1H-pyrazol-1-yl]methanone
CID 3113627
[3-(4-bromophenyl)-5-(2-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl](4-methylphenyl)methanone
CID 5039004

Frequently Asked Questions

What is the IUPAC name of [5-(4-bromophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]-(4-methylphenyl)methanone?
The IUPAC name of [5-(4-bromophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]-(4-methylphenyl)methanone (CID 3120301) is [5-(4-bromophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [5-(4-bromophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [5-(4-bromophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]-(4-methylphenyl)methanone is CCC1=NN(C(=O)c2ccc(C)cc2)C(O)(c2ccc(Br)cc2)C1.
What is the InChIKey of [5-(4-bromophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]-(4-methylphenyl)methanone?
The InChIKey is KURSOCQBAGFECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O2/c1-3-17-12-19(24,15-8-10-16(20)11-9-15)22(21-17)18(23)14-6-4-13(2)5-7-14/h4-11,24H,3,12H2,1-2H3.
What are the key properties of [5-(4-bromophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]-(4-methylphenyl)methanone?
[5-(4-bromophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]-(4-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 [5-(4-bromophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 3120301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).