(E)-N-(3-nitrophenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide

C18H14N4O3 — CID 9070905

IUPAC(E)-N-(3-nitrophenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide
SMILESO=C(/C=C/c1cnn(-c2ccccc2)c1)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H14N4O3/c23-18(20-15-5-4-8-17(11-15)22(24)25)10-9-14-12-19-21(13-14)16-6-2-1-3-7-16/h1-13H,(H,20,23)/b10-9+
InChIKeyGIMNAMAZEQJBGA-MDZDMXLPSA-N
MW334.34 g/mol
LogP3.43
Rot. Bonds5

About (E)-N-(3-nitrophenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide

(E)-N-(3-nitrophenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide (PubChem CID 9070905) has the molecular formula C18H14N4O3 and a molecular weight of 334.34 g/mol. Its IUPAC name is (E)-N-(3-nitrophenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-nitrophenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide
PubChem CID9070905
Molecular FormulaC18H14N4O3
Molecular Weight334.34 g/mol
Exact Mass334.11
IUPAC Name(E)-N-(3-nitrophenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide
SMILESO=C(/C=C/c1cnn(-c2ccccc2)c1)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H14N4O3/c23-18(20-15-5-4-8-17(11-15)22(24)25)10-9-14-12-19-21(13-14)16-6-2-1-3-7-16/h1-13H,(H,20,23)/b10-9+
InChIKeyGIMNAMAZEQJBGA-MDZDMXLPSA-N
XLogP3.43
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 53.43
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

3-nitro-N'-[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]benzohydrazide
CID 8867207
(E)-N-(3-methylsulfanylphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 9072683
(E)-3-(1-phenylpyrazol-4-yl)-N-pyridin-4-ylprop-2-enamide
CID 37217328
(E)-N-[3-(1,3-dithiolan-2-yl)phenyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 27163859
(E)-N-(3-nitrophenyl)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enamide
CID 9411141
3-(4-methylphenyl)-N-(3-nitrophenyl)prop-2-enamide
CID 759724
(E)-3-(3-nitrophenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]prop-2-enamide
CID 134000558
(E)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 8589933
(Z)-3-[3-(3-nitrophenyl)-1-phenylpyrazol-4-yl]-N-phenylprop-2-enamide
CID 2423683
(E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(3-nitrophenyl)prop-2-enamide
CID 26719346
(E)-1-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one
CID 48733311
(E)-N-[3-(3-cyanopropoxy)phenyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 55879470

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-nitrophenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide?
The IUPAC name of (E)-N-(3-nitrophenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide (CID 9070905) is (E)-N-(3-nitrophenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(3-nitrophenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(3-nitrophenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide is O=C(/C=C/c1cnn(-c2ccccc2)c1)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of (E)-N-(3-nitrophenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide?
The InChIKey is GIMNAMAZEQJBGA-MDZDMXLPSA-N. The full InChI is InChI=1S/C18H14N4O3/c23-18(20-15-5-4-8-17(11-15)22(24)25)10-9-14-12-19-21(13-14)16-6-2-1-3-7-16/h1-13H,(H,20,23)/b10-9+.
What are the key properties of (E)-N-(3-nitrophenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide?
(E)-N-(3-nitrophenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide has a molecular weight of 334.34 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-nitrophenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide is sourced from PubChem (CID 9070905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).