3-(4-nitrophenyl)-N-(2-pyrazol-1-ylphenyl)prop-2-enamide

C18H14N4O3 — CID 91942402

IUPAC3-(4-nitrophenyl)-N-(2-pyrazol-1-ylphenyl)prop-2-enamide
SMILESO=C(C=Cc1ccc([N+](=O)[O-])cc1)Nc1ccccc1-n1cccn1
InChIInChI=1S/C18H14N4O3/c23-18(11-8-14-6-9-15(10-7-14)22(24)25)20-16-4-1-2-5-17(16)21-13-3-12-19-21/h1-13H,(H,20,23)
InChIKeyQZIQHVVHRVEXNS-UHFFFAOYSA-N
MW334.34 g/mol
LogP3.43
Rot. Bonds5

About 3-(4-nitrophenyl)-N-(2-pyrazol-1-ylphenyl)prop-2-enamide

3-(4-nitrophenyl)-N-(2-pyrazol-1-ylphenyl)prop-2-enamide (PubChem CID 91942402) has the molecular formula C18H14N4O3 and a molecular weight of 334.34 g/mol. Its IUPAC name is 3-(4-nitrophenyl)-N-(2-pyrazol-1-ylphenyl)prop-2-enamide.

Molecular Properties

Compound Name3-(4-nitrophenyl)-N-(2-pyrazol-1-ylphenyl)prop-2-enamide
PubChem CID91942402
Molecular FormulaC18H14N4O3
Molecular Weight334.34 g/mol
Exact Mass334.11
IUPAC Name3-(4-nitrophenyl)-N-(2-pyrazol-1-ylphenyl)prop-2-enamide
SMILESO=C(C=Cc1ccc([N+](=O)[O-])cc1)Nc1ccccc1-n1cccn1
InChIInChI=1S/C18H14N4O3/c23-18(11-8-14-6-9-15(10-7-14)22(24)25)20-16-4-1-2-5-17(16)21-13-3-12-19-21/h1-13H,(H,20,23)
InChIKeyQZIQHVVHRVEXNS-UHFFFAOYSA-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

N-(2-iodophenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 4591037
3-(4-nitrophenyl)-N-[3-[3-(4-nitrophenyl)prop-2-enoylamino]naphthalen-2-yl]prop-2-enamide
CID 3974611
3-(4-nitrophenyl)-N-[2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]phenyl]prop-2-enamide
CID 72684567
3-methyl-N-(2-pyrazol-1-ylphenyl)but-2-enamide
CID 47234607
(E)-3-(4-ethoxy-3-methoxyphenyl)-N-(2-pyrazol-1-ylphenyl)prop-2-enamide
CID 55647282
(E)-N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 121148960
(E)-N,3-bis(4-nitrophenyl)prop-2-enamide
CID 6147286
(E)-N-[2-(1H-benzimidazol-2-yl)phenyl]-3-(4-nitrophenyl)prop-2-enamide
CID 6012174
(Z)-N-(4-nitrophenyl)-3-phenylprop-2-enamide
CID 92909984
(E)-3-(4-nitrophenyl)-N-(5-nitro-2-pyridinyl)prop-2-enamide
CID 6085357
N-(2-methylpropyl)-2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]benzamide
CID 37003737
N-[(2R)-butan-2-yl]-2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]benzamide
CID 26253532

Frequently Asked Questions

What is the IUPAC name of 3-(4-nitrophenyl)-N-(2-pyrazol-1-ylphenyl)prop-2-enamide?
The IUPAC name of 3-(4-nitrophenyl)-N-(2-pyrazol-1-ylphenyl)prop-2-enamide (CID 91942402) is 3-(4-nitrophenyl)-N-(2-pyrazol-1-ylphenyl)prop-2-enamide.
What is the SMILES notation for 3-(4-nitrophenyl)-N-(2-pyrazol-1-ylphenyl)prop-2-enamide?
The canonical SMILES for 3-(4-nitrophenyl)-N-(2-pyrazol-1-ylphenyl)prop-2-enamide is O=C(C=Cc1ccc([N+](=O)[O-])cc1)Nc1ccccc1-n1cccn1.
What is the InChIKey of 3-(4-nitrophenyl)-N-(2-pyrazol-1-ylphenyl)prop-2-enamide?
The InChIKey is QZIQHVVHRVEXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O3/c23-18(11-8-14-6-9-15(10-7-14)22(24)25)20-16-4-1-2-5-17(16)21-13-3-12-19-21/h1-13H,(H,20,23).
What are the key properties of 3-(4-nitrophenyl)-N-(2-pyrazol-1-ylphenyl)prop-2-enamide?
3-(4-nitrophenyl)-N-(2-pyrazol-1-ylphenyl)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 3-(4-nitrophenyl)-N-(2-pyrazol-1-ylphenyl)prop-2-enamide is sourced from PubChem (CID 91942402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).