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

C23H19BrN2O2 — CID 4258024

IUPAC[3-(4-bromophenyl)-5-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone
SMILESCOc1ccccc1C1=NN(C(=O)c2ccccc2)C(c2ccc(Br)cc2)C1
InChIInChI=1S/C23H19BrN2O2/c1-28-22-10-6-5-9-19(22)20-15-21(16-11-13-18(24)14-12-16)26(25-20)23(27)17-7-3-2-4-8-17/h2-14,21H,15H2,1H3
InChIKeyDLAKRFSCHHTMIG-UHFFFAOYSA-N
MW435.32 g/mol
LogP5.45
Rot. Bonds4

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

[3-(4-bromophenyl)-5-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone (PubChem CID 4258024) has the molecular formula C23H19BrN2O2 and a molecular weight of 435.32 g/mol. Its IUPAC name is [3-(4-bromophenyl)-5-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-(4-bromophenyl)-5-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone
PubChem CID4258024
Molecular FormulaC23H19BrN2O2
Molecular Weight435.32 g/mol
Exact Mass434.06
IUPAC Name[3-(4-bromophenyl)-5-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone
SMILESCOc1ccccc1C1=NN(C(=O)c2ccccc2)C(c2ccc(Br)cc2)C1
InChIInChI=1S/C23H19BrN2O2/c1-28-22-10-6-5-9-19(22)20-15-21(16-11-13-18(24)14-12-16)26(25-20)23(27)17-7-3-2-4-8-17/h2-14,21H,15H2,1H3
InChIKeyDLAKRFSCHHTMIG-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

Analyze [3-(4-bromophenyl)-5-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)(phenyl)methanone
CID 3755793
[3-(2-Methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 2953068
[5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl](phenyl)methanone
CID 6737699
(5-(4-bromophenyl)-3-(2-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)(phenyl)methanone
CID 5096771
(3-(2-hydroxy-4-methoxyphenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)(phenyl)methanone
CID 4311074
N-benzoyl-5-(-3'-methoxy phenyl)-3-phenylpyrazoline (2f)
CID 84973182
(4-methoxyphenyl)[3-phenyl-5,6-dihydro-1(4H)-pyridazinyl]methanone
CID 1484235
5-(4-bromophenyl)-3-(5-methyl-2-furyl)-1-propionyl-4,5-dihydro-1H-pyrazole
CID 2958957
[3-(2-Methoxyphenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 5175604
N-[(E)-[(E)-1-(4-bromophenyl)-3-(4-methoxyphenyl)prop-2-enylidene]amino]-4-methoxybenzamide
CID 118706231
[(3R)-5-(5-bromo-2-hydroxyphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 136986954
Propan-2-yl 4-[2-(4-bromobenzoyl)-3-phenyl-3,4-dihydropyrazol-5-yl]benzoate
CID 168288561

Frequently Asked Questions

What is the IUPAC name of [3-(4-bromophenyl)-5-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone?
The IUPAC name of [3-(4-bromophenyl)-5-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone (CID 4258024) is [3-(4-bromophenyl)-5-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone.
What is the SMILES notation for [3-(4-bromophenyl)-5-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone?
The canonical SMILES for [3-(4-bromophenyl)-5-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone is COc1ccccc1C1=NN(C(=O)c2ccccc2)C(c2ccc(Br)cc2)C1.
What is the InChIKey of [3-(4-bromophenyl)-5-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone?
The InChIKey is DLAKRFSCHHTMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19BrN2O2/c1-28-22-10-6-5-9-19(22)20-15-21(16-11-13-18(24)14-12-16)26(25-20)23(27)17-7-3-2-4-8-17/h2-14,21H,15H2,1H3.
What are the key properties of [3-(4-bromophenyl)-5-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone?
[3-(4-bromophenyl)-5-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone 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-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone is sourced from PubChem (CID 4258024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).