1-[4-(4-bromobenzoyl)-1-(3-bromophenyl)pyrazol-3-yl]ethanone

C18H12Br2N2O2 — CID 1214645

IUPAC1-[4-(4-bromobenzoyl)-1-(3-bromophenyl)pyrazol-3-yl]ethanone
SMILESCC(=O)c1nn(-c2cccc(Br)c2)cc1C(=O)c1ccc(Br)cc1
InChIInChI=1S/C18H12Br2N2O2/c1-11(23)17-16(18(24)12-5-7-13(19)8-6-12)10-22(21-17)15-4-2-3-14(20)9-15/h2-10H,1H3
InChIKeyQEWKQCDWQTXQIU-UHFFFAOYSA-N
MW448.11 g/mol
LogP4.83
Rot. Bonds4

About 1-[4-(4-bromobenzoyl)-1-(3-bromophenyl)pyrazol-3-yl]ethanone

1-[4-(4-bromobenzoyl)-1-(3-bromophenyl)pyrazol-3-yl]ethanone (PubChem CID 1214645) has the molecular formula C18H12Br2N2O2 and a molecular weight of 448.11 g/mol. Its IUPAC name is 1-[4-(4-bromobenzoyl)-1-(3-bromophenyl)pyrazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-bromobenzoyl)-1-(3-bromophenyl)pyrazol-3-yl]ethanone
PubChem CID1214645
Molecular FormulaC18H12Br2N2O2
Molecular Weight448.11 g/mol
Exact Mass445.93
IUPAC Name1-[4-(4-bromobenzoyl)-1-(3-bromophenyl)pyrazol-3-yl]ethanone
SMILESCC(=O)c1nn(-c2cccc(Br)c2)cc1C(=O)c1ccc(Br)cc1
InChIInChI=1S/C18H12Br2N2O2/c1-11(23)17-16(18(24)12-5-7-13(19)8-6-12)10-22(21-17)15-4-2-3-14(20)9-15/h2-10H,1H3
InChIKeyQEWKQCDWQTXQIU-UHFFFAOYSA-N
XLogP4.83
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.11
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(3-bromophenyl)-4-(1-naphthoyl)-1H-pyrazol-3-yl]ethanone
CID 1214647
1-[4-(3-bromobenzoyl)-1-(3-methylphenyl)-1H-pyrazol-3-yl]ethanone
CID 1214665
3-[3-(4-bromophenyl)-4-[(E)-3-oxo-3-phenylprop-1-enyl]pyrazol-1-yl]propanoic acid
CID 5894808
1-[4-benzoyl-1-(4-chlorophenyl)-1H-pyrazol-3-yl]ethanone
CID 902112
3-(4-bromophenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde
CID 876753
3-benzoyl-1-phenyl-1H-pyrazole-4-carbonitrile
CID 851569
1-[4-(4-methylbenzoyl)-1-phenyl-1H-pyrazol-3-yl]ethanone
CID 1214550
1-[4-benzoyl-1-(3-bromophenyl)-1H-pyrazol-3-yl]ethanone
CID 1214642
1-[1-(3-Bromophenyl)-4-(4-chlorobenzoyl)pyrazol-3-yl]ethanone
CID 1214643
1-[1-(3-bromophenyl)-4-(4-methylbenzoyl)-1H-pyrazol-3-yl]ethanone
CID 1214644
1-[1-(3-bromophenyl)-4-(2-naphthoyl)-1H-pyrazol-3-yl]ethanone
CID 1214648
1-[4-(3-bromobenzoyl)-1-phenyl-1H-pyrazol-3-yl]ethanone
CID 1214663

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-bromobenzoyl)-1-(3-bromophenyl)pyrazol-3-yl]ethanone?
The IUPAC name of 1-[4-(4-bromobenzoyl)-1-(3-bromophenyl)pyrazol-3-yl]ethanone (CID 1214645) is 1-[4-(4-bromobenzoyl)-1-(3-bromophenyl)pyrazol-3-yl]ethanone.
What is the SMILES notation for 1-[4-(4-bromobenzoyl)-1-(3-bromophenyl)pyrazol-3-yl]ethanone?
The canonical SMILES for 1-[4-(4-bromobenzoyl)-1-(3-bromophenyl)pyrazol-3-yl]ethanone is CC(=O)c1nn(-c2cccc(Br)c2)cc1C(=O)c1ccc(Br)cc1.
What is the InChIKey of 1-[4-(4-bromobenzoyl)-1-(3-bromophenyl)pyrazol-3-yl]ethanone?
The InChIKey is QEWKQCDWQTXQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Br2N2O2/c1-11(23)17-16(18(24)12-5-7-13(19)8-6-12)10-22(21-17)15-4-2-3-14(20)9-15/h2-10H,1H3.
What are the key properties of 1-[4-(4-bromobenzoyl)-1-(3-bromophenyl)pyrazol-3-yl]ethanone?
1-[4-(4-bromobenzoyl)-1-(3-bromophenyl)pyrazol-3-yl]ethanone has a molecular weight of 448.11 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-bromobenzoyl)-1-(3-bromophenyl)pyrazol-3-yl]ethanone is sourced from PubChem (CID 1214645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).