(Z)-3-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-N-(4-methoxyphenyl)prop-2-enamide

C25H20BrN3O2 — CID 2423676

IUPAC(Z)-3-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-N-(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(NC(=O)/C=C\c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)cc1
InChIInChI=1S/C25H20BrN3O2/c1-31-23-14-12-21(13-15-23)27-24(30)16-9-19-17-29(22-5-3-2-4-6-22)28-25(19)18-7-10-20(26)11-8-18/h2-17H,1H3,(H,27,30)/b16-9-
InChIKeyOULSIHHTRUOOAW-SXGWCWSVSA-N
MW474.36 g/mol
LogP5.96
Rot. Bonds6

About (Z)-3-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-N-(4-methoxyphenyl)prop-2-enamide

(Z)-3-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-N-(4-methoxyphenyl)prop-2-enamide (PubChem CID 2423676) has the molecular formula C25H20BrN3O2 and a molecular weight of 474.36 g/mol. Its IUPAC name is (Z)-3-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-N-(4-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-N-(4-methoxyphenyl)prop-2-enamide
PubChem CID2423676
Molecular FormulaC25H20BrN3O2
Molecular Weight474.36 g/mol
Exact Mass473.07
IUPAC Name(Z)-3-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-N-(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(NC(=O)/C=C\c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)cc1
InChIInChI=1S/C25H20BrN3O2/c1-31-23-14-12-21(13-15-23)27-24(30)16-9-19-17-29(22-5-3-2-4-6-22)28-25(19)18-7-10-20(26)11-8-18/h2-17H,1H3,(H,27,30)/b16-9-
InChIKeyOULSIHHTRUOOAW-SXGWCWSVSA-N
XLogP5.96
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.36
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-[3-(4-Bromo-2-methyl-2H-pyrazol-3-yl)-4-methoxy-phenyl]-3-(4-methoxy-phenyl)-urea
CID 11774776
N-(4-methoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 850331
N-(4-methoxyphenyl)-3-(4-methylphenyl)-1-phenyl-1H-pyrazole-4-carboxamide
CID 1340223
1-(2-ethylphenyl)-N-(4-methoxyphenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 1235420
N-(4-ethoxyphenyl)-1,3-diphenyl-1H-pyrazole-4-carboxamide
CID 7947603
(E)-3-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]-N-[2-keto-2-(p-anisidino)ethyl]-N-methyl-acrylamide
CID 16546564
(E)-N-[2-keto-2-(p-anisidino)ethyl]-N-methyl-3-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]acrylamide
CID 24979204
(E)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enamide
CID 24980431
N-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 70687976
N-(4-ethoxyphenyl)-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 70692158
N-(4-methoxyphenyl)-1,3-diphenyl-1H-pyrazole-4-carboxamide
CID 1217619
N,3-bis(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 23909187

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-N-(4-methoxyphenyl)prop-2-enamide?
The IUPAC name of (Z)-3-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-N-(4-methoxyphenyl)prop-2-enamide (CID 2423676) is (Z)-3-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-N-(4-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-3-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-N-(4-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (Z)-3-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-N-(4-methoxyphenyl)prop-2-enamide is COc1ccc(NC(=O)/C=C\c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)cc1.
What is the InChIKey of (Z)-3-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-N-(4-methoxyphenyl)prop-2-enamide?
The InChIKey is OULSIHHTRUOOAW-SXGWCWSVSA-N. The full InChI is InChI=1S/C25H20BrN3O2/c1-31-23-14-12-21(13-15-23)27-24(30)16-9-19-17-29(22-5-3-2-4-6-22)28-25(19)18-7-10-20(26)11-8-18/h2-17H,1H3,(H,27,30)/b16-9-.
What are the key properties of (Z)-3-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-N-(4-methoxyphenyl)prop-2-enamide?
(Z)-3-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-N-(4-methoxyphenyl)prop-2-enamide has a molecular weight of 474.36 g/mol, XLogP of 5.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-N-(4-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 2423676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).