(Z)-3-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]-N-phenylprop-2-enamide

C24H18N4O3 — CID 70684091

IUPAC(Z)-3-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]-N-phenylprop-2-enamide
SMILESO=C(/C=C\c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)Nc1ccccc1
InChIInChI=1S/C24H18N4O3/c29-23(25-20-7-3-1-4-8-20)16-13-19-17-27(21-9-5-2-6-10-21)26-24(19)18-11-14-22(15-12-18)28(30)31/h1-17H,(H,25,29)/b16-13-
InChIKeyCDZMZPXWDKACEV-SSZFMOIBSA-N
MW410.43 g/mol
LogP5.10
Rot. Bonds6

About (Z)-3-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]-N-phenylprop-2-enamide

(Z)-3-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]-N-phenylprop-2-enamide (PubChem CID 70684091) has the molecular formula C24H18N4O3 and a molecular weight of 410.43 g/mol. Its IUPAC name is (Z)-3-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]-N-phenylprop-2-enamide.

Molecular Properties

Compound Name(Z)-3-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]-N-phenylprop-2-enamide
PubChem CID70684091
Molecular FormulaC24H18N4O3
Molecular Weight410.43 g/mol
Exact Mass410.14
IUPAC Name(Z)-3-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]-N-phenylprop-2-enamide
SMILESO=C(/C=C\c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)Nc1ccccc1
InChIInChI=1S/C24H18N4O3/c29-23(25-20-7-3-1-4-8-20)16-13-19-17-27(21-9-5-2-6-10-21)26-24(19)18-11-14-22(15-12-18)28(30)31/h1-17H,(H,25,29)/b16-13-
InChIKeyCDZMZPXWDKACEV-SSZFMOIBSA-N
XLogP5.10
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.43
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-methylphenyl)-1,3-diphenyl-1H-pyrazole-4-carboxamide
CID 3510494
5-((1,3-diphenyl-1H-pyrazol-4-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione
CID 2232587
1-{[3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]carbonyl}piperidine
CID 1288695
5-methyl-N-(3-nitrophenyl)-1-phenylpyrazole-4-carboxamide
CID 832949
N'-{[3-(4-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}isonicotinohydrazide
CID 9583955
(2Z)-N,N-dimethyl-3-[3-(3-nitrophenyl)-1-phenylpyrazol-4-yl]-2-(phenylcarbonyl amino)prop-2-enamide
CID 1969340
N-hydroxy-5-(1-(4-nitrobenzyl)-1H-pyrazol-3-yl)pentanamide
CID 72195597
5-[1-[(4-anilinophenyl)methyl]pyrazol-3-yl]-N-hydroxypentanamide
CID 118714376
N,1-bis(4-methylphenyl)-3-phenylpyrazole-4-carboxamide
CID 141766242
N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methyl-3-(4-nitrophenyl)acrylamide
CID 896034
N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-N-methyl-3-(4-nitrophenyl)acrylamide
CID 897164
3-(4-fluorophenyl)-N-(4-methyl-3-nitrophenyl)-1-phenyl-1H-pyrazole-4-carboxamide
CID 1290332

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]-N-phenylprop-2-enamide?
The IUPAC name of (Z)-3-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]-N-phenylprop-2-enamide (CID 70684091) is (Z)-3-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]-N-phenylprop-2-enamide.
What is the SMILES notation for (Z)-3-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]-N-phenylprop-2-enamide?
The canonical SMILES for (Z)-3-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]-N-phenylprop-2-enamide is O=C(/C=C\c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)Nc1ccccc1.
What is the InChIKey of (Z)-3-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]-N-phenylprop-2-enamide?
The InChIKey is CDZMZPXWDKACEV-SSZFMOIBSA-N. The full InChI is InChI=1S/C24H18N4O3/c29-23(25-20-7-3-1-4-8-20)16-13-19-17-27(21-9-5-2-6-10-21)26-24(19)18-11-14-22(15-12-18)28(30)31/h1-17H,(H,25,29)/b16-13-.
What are the key properties of (Z)-3-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]-N-phenylprop-2-enamide?
(Z)-3-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]-N-phenylprop-2-enamide has a molecular weight of 410.43 g/mol, XLogP of 5.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]-N-phenylprop-2-enamide is sourced from PubChem (CID 70684091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).