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

C24H18N4O3 — CID 2423683

IUPAC(Z)-3-[3-(3-nitrophenyl)-1-phenylpyrazol-4-yl]-N-phenylprop-2-enamide
SMILESO=C(/C=C\c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1)Nc1ccccc1
InChIInChI=1S/C24H18N4O3/c29-23(25-20-9-3-1-4-10-20)15-14-19-17-27(21-11-5-2-6-12-21)26-24(19)18-8-7-13-22(16-18)28(30)31/h1-17H,(H,25,29)/b15-14-
InChIKeyKRITZMZCTBPMRJ-PFONDFGASA-N
MW410.43 g/mol
LogP5.10
Rot. Bonds6

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

(Z)-3-[3-(3-nitrophenyl)-1-phenylpyrazol-4-yl]-N-phenylprop-2-enamide (PubChem CID 2423683) has the molecular formula C24H18N4O3 and a molecular weight of 410.43 g/mol. Its IUPAC name is (Z)-3-[3-(3-nitrophenyl)-1-phenylpyrazol-4-yl]-N-phenylprop-2-enamide.

Molecular Properties

Compound Name(Z)-3-[3-(3-nitrophenyl)-1-phenylpyrazol-4-yl]-N-phenylprop-2-enamide
PubChem CID2423683
Molecular FormulaC24H18N4O3
Molecular Weight410.43 g/mol
Exact Mass410.14
IUPAC Name(Z)-3-[3-(3-nitrophenyl)-1-phenylpyrazol-4-yl]-N-phenylprop-2-enamide
SMILESO=C(/C=C\c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1)Nc1ccccc1
InChIInChI=1S/C24H18N4O3/c29-23(25-20-9-3-1-4-10-20)15-14-19-17-27(21-11-5-2-6-12-21)26-24(19)18-8-7-13-22(16-18)28(30)31/h1-17H,(H,25,29)/b15-14-
InChIKeyKRITZMZCTBPMRJ-PFONDFGASA-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

(E)-N-(3-nitrophenyl)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enamide
CID 9411141
N-(furan-2-ylmethyl)-3-[3-(3-nitrophenyl)-1-phenylpyrazol-4-yl]prop-2-enamide
CID 3285858
ethyl (Z)-3-[3-(3-nitrophenyl)-1-phenylpyrazol-4-yl]prop-2-enoate
CID 2175221
1-morpholin-4-yl-3-[3-(3-nitrophenyl)-1-phenylpyrazol-4-yl]prop-2-en-1-one
CID 1290718
1-(3,4-dihydro-2H-quinolin-1-yl)-3-[3-(3-nitrophenyl)-1-phenylpyrazol-4-yl]prop-2-en-1-one
CID 4830686
(E)-3-(1,3-diphenylpyrazol-4-yl)-N-(3-methylsulfonylphenyl)prop-2-enamide
CID 27334682
(E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-N-pyridin-3-ylprop-2-enamide
CID 26592504
3-(1,3-diphenylpyrazol-4-yl)-N-(phenylcarbamothioyl)prop-2-enamide
CID 3645403
(Z)-N-(3-acetylphenyl)-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)prop-2-enamide
CID 174996487
(E)-N-(3-nitrophenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 9070905
N-(4-acetylphenyl)-3-(3-nitrophenyl)-1-phenylpyrazole-4-carboxamide
CID 1288195
N'-[(E)-3-(3-nitrophenyl)prop-2-enoyl]-1,3-diphenylpyrazole-4-carbohydrazide
CID 26664796

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[3-(3-nitrophenyl)-1-phenylpyrazol-4-yl]-N-phenylprop-2-enamide?
The IUPAC name of (Z)-3-[3-(3-nitrophenyl)-1-phenylpyrazol-4-yl]-N-phenylprop-2-enamide (CID 2423683) is (Z)-3-[3-(3-nitrophenyl)-1-phenylpyrazol-4-yl]-N-phenylprop-2-enamide.
What is the SMILES notation for (Z)-3-[3-(3-nitrophenyl)-1-phenylpyrazol-4-yl]-N-phenylprop-2-enamide?
The canonical SMILES for (Z)-3-[3-(3-nitrophenyl)-1-phenylpyrazol-4-yl]-N-phenylprop-2-enamide is O=C(/C=C\c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1)Nc1ccccc1.
What is the InChIKey of (Z)-3-[3-(3-nitrophenyl)-1-phenylpyrazol-4-yl]-N-phenylprop-2-enamide?
The InChIKey is KRITZMZCTBPMRJ-PFONDFGASA-N. The full InChI is InChI=1S/C24H18N4O3/c29-23(25-20-9-3-1-4-10-20)15-14-19-17-27(21-11-5-2-6-12-21)26-24(19)18-8-7-13-22(16-18)28(30)31/h1-17H,(H,25,29)/b15-14-.
What are the key properties of (Z)-3-[3-(3-nitrophenyl)-1-phenylpyrazol-4-yl]-N-phenylprop-2-enamide?
(Z)-3-[3-(3-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-(3-nitrophenyl)-1-phenylpyrazol-4-yl]-N-phenylprop-2-enamide is sourced from PubChem (CID 2423683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).