[3-(4-bromophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-(4-methoxyphenyl)methanone

C23H19BrN2O2 — CID 71198157

IUPAC[3-(4-bromophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2N=C(c3ccccc3)CC2c2ccc(Br)cc2)cc1
InChIInChI=1S/C23H19BrN2O2/c1-28-20-13-9-18(10-14-20)23(27)26-22(17-7-11-19(24)12-8-17)15-21(25-26)16-5-3-2-4-6-16/h2-14,22H,15H2,1H3
InChIKeyHLQCPIQBRRVDPK-UHFFFAOYSA-N
MW435.32 g/mol
LogP5.45
Rot. Bonds4

About [3-(4-bromophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-(4-methoxyphenyl)methanone

[3-(4-bromophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-(4-methoxyphenyl)methanone (PubChem CID 71198157) has the molecular formula C23H19BrN2O2 and a molecular weight of 435.32 g/mol. Its IUPAC name is [3-(4-bromophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[3-(4-bromophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-(4-methoxyphenyl)methanone
PubChem CID71198157
Molecular FormulaC23H19BrN2O2
Molecular Weight435.32 g/mol
Exact Mass434.06
IUPAC Name[3-(4-bromophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2N=C(c3ccccc3)CC2c2ccc(Br)cc2)cc1
InChIInChI=1S/C23H19BrN2O2/c1-28-20-13-9-18(10-14-20)23(27)26-22(17-7-11-19(24)12-8-17)15-21(25-26)16-5-3-2-4-6-16/h2-14,22H,15H2,1H3
InChIKeyHLQCPIQBRRVDPK-UHFFFAOYSA-N
XLogP5.45
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.32
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromophenyl)-[(3R)-5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone
CID 7233080
[3-(4-methoxyphenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 3753761
[3,5-bis(4-bromophenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 3098588
[3-(4-bromophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-(5-bromo-3-pyridinyl)methanone
CID 70685963
1-[(3R)-5-(4-bromophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one
CID 7092205
1-[(3R)-5-(4-bromophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-phenylethanone
CID 27101392
1-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]propan-1-one
CID 2960227
[5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-(4-nitrophenyl)methanone
CID 4073138
4-[(3R)-5-(4-bromophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
CID 1039093
1-[(3S)-3-(4-bromophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]propan-1-one
CID 1211650
(3-bromophenyl)-[5-(3-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone
CID 119053300
[5-(6-bromo-2-methyl-4-phenylquinolin-3-yl)-3-(4-bromophenyl)-3,4-dihydropyrazol-2-yl]-(3,5-dimethoxyphenyl)methanone
CID 4220638

Frequently Asked Questions

What is the IUPAC name of [3-(4-bromophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [3-(4-bromophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-(4-methoxyphenyl)methanone (CID 71198157) is [3-(4-bromophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [3-(4-bromophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [3-(4-bromophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)N2N=C(c3ccccc3)CC2c2ccc(Br)cc2)cc1.
What is the InChIKey of [3-(4-bromophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-(4-methoxyphenyl)methanone?
The InChIKey is HLQCPIQBRRVDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19BrN2O2/c1-28-20-13-9-18(10-14-20)23(27)26-22(17-7-11-19(24)12-8-17)15-21(25-26)16-5-3-2-4-6-16/h2-14,22H,15H2,1H3.
What are the key properties of [3-(4-bromophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-(4-methoxyphenyl)methanone?
[3-(4-bromophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-(4-methoxyphenyl)methanone has a molecular weight of 435.32 g/mol, XLogP of 5.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-bromophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 71198157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).