(E)-3-(2-fluorophenyl)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]prop-2-enamide

C19H15FN4O3 — CID 55520601

IUPAC(E)-3-(2-fluorophenyl)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]prop-2-enamide
SMILESCc1cc(NC(=O)/C=C/c2ccccc2F)n(-c2ccc([N+](=O)[O-])cc2)n1
InChIInChI=1S/C19H15FN4O3/c1-13-12-18(21-19(25)11-6-14-4-2-3-5-17(14)20)23(22-13)15-7-9-16(10-8-15)24(26)27/h2-12H,1H3,(H,21,25)/b11-6+
InChIKeyIOPLFOMIPYERJQ-IZZDOVSWSA-N
MW366.35 g/mol
LogP3.88
Rot. Bonds5

About (E)-3-(2-fluorophenyl)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]prop-2-enamide

(E)-3-(2-fluorophenyl)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]prop-2-enamide (PubChem CID 55520601) has the molecular formula C19H15FN4O3 and a molecular weight of 366.35 g/mol. Its IUPAC name is (E)-3-(2-fluorophenyl)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-fluorophenyl)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]prop-2-enamide
PubChem CID55520601
Molecular FormulaC19H15FN4O3
Molecular Weight366.35 g/mol
Exact Mass366.11
IUPAC Name(E)-3-(2-fluorophenyl)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]prop-2-enamide
SMILESCc1cc(NC(=O)/C=C/c2ccccc2F)n(-c2ccc([N+](=O)[O-])cc2)n1
InChIInChI=1S/C19H15FN4O3/c1-13-12-18(21-19(25)11-6-14-4-2-3-5-17(14)20)23(22-13)15-7-9-16(10-8-15)24(26)27/h2-12H,1H3,(H,21,25)/b11-6+
InChIKeyIOPLFOMIPYERJQ-IZZDOVSWSA-N
XLogP3.88
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.35
LogP ≤ 53.88
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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Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-fluorophenyl)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]prop-2-enamide?
The IUPAC name of (E)-3-(2-fluorophenyl)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]prop-2-enamide (CID 55520601) is (E)-3-(2-fluorophenyl)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2-fluorophenyl)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]prop-2-enamide?
The canonical SMILES for (E)-3-(2-fluorophenyl)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]prop-2-enamide is Cc1cc(NC(=O)/C=C/c2ccccc2F)n(-c2ccc([N+](=O)[O-])cc2)n1.
What is the InChIKey of (E)-3-(2-fluorophenyl)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]prop-2-enamide?
The InChIKey is IOPLFOMIPYERJQ-IZZDOVSWSA-N. The full InChI is InChI=1S/C19H15FN4O3/c1-13-12-18(21-19(25)11-6-14-4-2-3-5-17(14)20)23(22-13)15-7-9-16(10-8-15)24(26)27/h2-12H,1H3,(H,21,25)/b11-6+.
What are the key properties of (E)-3-(2-fluorophenyl)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]prop-2-enamide?
(E)-3-(2-fluorophenyl)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]prop-2-enamide has a molecular weight of 366.35 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-fluorophenyl)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]prop-2-enamide is sourced from PubChem (CID 55520601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).