(E)-N-(2-aminophenyl)-3-[1-[(E)-2-phenylethenyl]pyrazol-4-yl]prop-2-enamide

C20H18N4O — CID 126611433

IUPAC(E)-N-(2-aminophenyl)-3-[1-[(E)-2-phenylethenyl]pyrazol-4-yl]prop-2-enamide
SMILESNc1ccccc1NC(=O)/C=C/c1cnn(/C=C/c2ccccc2)c1
InChIInChI=1S/C20H18N4O/c21-18-8-4-5-9-19(18)23-20(25)11-10-17-14-22-24(15-17)13-12-16-6-2-1-3-7-16/h1-15H,21H2,(H,23,25)/b11-10+,13-12+
InChIKeyUSGHWGNGYJNQNK-AQASXUMVSA-N
MW330.39 g/mol
LogP3.75
Rot. Bonds5

About (E)-N-(2-aminophenyl)-3-[1-[(E)-2-phenylethenyl]pyrazol-4-yl]prop-2-enamide

(E)-N-(2-aminophenyl)-3-[1-[(E)-2-phenylethenyl]pyrazol-4-yl]prop-2-enamide (PubChem CID 126611433) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is (E)-N-(2-aminophenyl)-3-[1-[(E)-2-phenylethenyl]pyrazol-4-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-aminophenyl)-3-[1-[(E)-2-phenylethenyl]pyrazol-4-yl]prop-2-enamide
PubChem CID126611433
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC Name(E)-N-(2-aminophenyl)-3-[1-[(E)-2-phenylethenyl]pyrazol-4-yl]prop-2-enamide
SMILESNc1ccccc1NC(=O)/C=C/c1cnn(/C=C/c2ccccc2)c1
InChIInChI=1S/C20H18N4O/c21-18-8-4-5-9-19(18)23-20(25)11-10-17-14-22-24(15-17)13-12-16-6-2-1-3-7-16/h1-15H,21H2,(H,23,25)/b11-10+,13-12+
InChIKeyUSGHWGNGYJNQNK-AQASXUMVSA-N
XLogP3.75
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-(2-aminophenyl)-3-pyridin-3-ylprop-2-enamide
CID 168818983
N-(2-aminophenyl)-3-(4-bromophenyl)prop-2-enamide
CID 69082586
(E)-N-(2-aminophenyl)-3-(4-bromophenyl)prop-2-enamide
CID 20786027
(E)-N-(2-aminophenyl)-3-[3-(anilinomethyl)phenyl]prop-2-enamide
CID 139368358
(E)-N-(5-amino-2-fluorophenyl)-3-phenylprop-2-enamide
CID 43600104
3-phenyl-N-[5-(3-phenylprop-2-enoylamino)naphthalen-1-yl]prop-2-enamide
CID 3507012
(E)-N-(2-acetamidophenyl)-3-phenylprop-2-enamide
CID 875192
(E)-N-(2-aminophenyl)-3-(3-methoxyphenyl)prop-2-enamide
CID 28867841
(E)-N-(2-aminophenyl)-3-[6-[(4-phenylphenyl)sulfanylamino]-3-pyridinyl]prop-2-enamide
CID 142065104
N-[4-[3-[(E)-3-(2-aminoanilino)-3-oxoprop-1-enyl]phenyl]phenyl]benzamide
CID 73388672
N-[2-(hydroxymethyl)phenyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 61497888
N-(2-aminophenyl)-3-[4-[(4-bromoanilino)methyl]phenyl]prop-2-enamide
CID 66893975

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-aminophenyl)-3-[1-[(E)-2-phenylethenyl]pyrazol-4-yl]prop-2-enamide?
The IUPAC name of (E)-N-(2-aminophenyl)-3-[1-[(E)-2-phenylethenyl]pyrazol-4-yl]prop-2-enamide (CID 126611433) is (E)-N-(2-aminophenyl)-3-[1-[(E)-2-phenylethenyl]pyrazol-4-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-(2-aminophenyl)-3-[1-[(E)-2-phenylethenyl]pyrazol-4-yl]prop-2-enamide?
The canonical SMILES for (E)-N-(2-aminophenyl)-3-[1-[(E)-2-phenylethenyl]pyrazol-4-yl]prop-2-enamide is Nc1ccccc1NC(=O)/C=C/c1cnn(/C=C/c2ccccc2)c1.
What is the InChIKey of (E)-N-(2-aminophenyl)-3-[1-[(E)-2-phenylethenyl]pyrazol-4-yl]prop-2-enamide?
The InChIKey is USGHWGNGYJNQNK-AQASXUMVSA-N. The full InChI is InChI=1S/C20H18N4O/c21-18-8-4-5-9-19(18)23-20(25)11-10-17-14-22-24(15-17)13-12-16-6-2-1-3-7-16/h1-15H,21H2,(H,23,25)/b11-10+,13-12+.
What are the key properties of (E)-N-(2-aminophenyl)-3-[1-[(E)-2-phenylethenyl]pyrazol-4-yl]prop-2-enamide?
(E)-N-(2-aminophenyl)-3-[1-[(E)-2-phenylethenyl]pyrazol-4-yl]prop-2-enamide has a molecular weight of 330.39 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-aminophenyl)-3-[1-[(E)-2-phenylethenyl]pyrazol-4-yl]prop-2-enamide is sourced from PubChem (CID 126611433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).