(E)-3-(1-phenylpyrazol-4-yl)-N-(6-pyrazol-1-yl-3-pyridinyl)prop-2-enamide

C20H16N6O — CID 55560332

IUPAC(E)-3-(1-phenylpyrazol-4-yl)-N-(6-pyrazol-1-yl-3-pyridinyl)prop-2-enamide
SMILESO=C(/C=C/c1cnn(-c2ccccc2)c1)Nc1ccc(-n2cccn2)nc1
InChIInChI=1S/C20H16N6O/c27-20(24-17-8-9-19(21-14-17)25-12-4-11-22-25)10-7-16-13-23-26(15-16)18-5-2-1-3-6-18/h1-15H,(H,24,27)/b10-7+
InChIKeyXGCKUDIHBGZLES-JXMROGBWSA-N
MW356.39 g/mol
LogP3.10
Rot. Bonds5

About (E)-3-(1-phenylpyrazol-4-yl)-N-(6-pyrazol-1-yl-3-pyridinyl)prop-2-enamide

(E)-3-(1-phenylpyrazol-4-yl)-N-(6-pyrazol-1-yl-3-pyridinyl)prop-2-enamide (PubChem CID 55560332) has the molecular formula C20H16N6O and a molecular weight of 356.39 g/mol. Its IUPAC name is (E)-3-(1-phenylpyrazol-4-yl)-N-(6-pyrazol-1-yl-3-pyridinyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(1-phenylpyrazol-4-yl)-N-(6-pyrazol-1-yl-3-pyridinyl)prop-2-enamide
PubChem CID55560332
Molecular FormulaC20H16N6O
Molecular Weight356.39 g/mol
Exact Mass356.14
IUPAC Name(E)-3-(1-phenylpyrazol-4-yl)-N-(6-pyrazol-1-yl-3-pyridinyl)prop-2-enamide
SMILESO=C(/C=C/c1cnn(-c2ccccc2)c1)Nc1ccc(-n2cccn2)nc1
InChIInChI=1S/C20H16N6O/c27-20(24-17-8-9-19(21-14-17)25-12-4-11-22-25)10-7-16-13-23-26(15-16)18-5-2-1-3-6-18/h1-15H,(H,24,27)/b10-7+
InChIKeyXGCKUDIHBGZLES-JXMROGBWSA-N
XLogP3.10
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(1-phenylpyrazol-4-yl)-N-pyridin-4-ylprop-2-enamide
CID 37217328
(E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-N-(6-pyrazol-1-yl-3-pyridinyl)prop-2-enamide
CID 46554236
N-(6-pyrazol-1-yl-3-pyridinyl)prop-2-enamide
CID 43698782
(E)-N-(3-oxo-1,2-dihydroisoindol-5-yl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 51099796
(E)-3-phenyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)prop-2-enamide
CID 71789782
ethyl (E)-3-[4-[[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]phenyl]prop-2-enoate
CID 27902755
(E)-3-(1-phenylpyrazol-4-yl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide
CID 46535526
(E)-N-(3-methylsulfanylphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 9072683
N-(6-pyrazol-1-yl-3-pyridinyl)acetamide
CID 47153389
(E)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 46635889
(E)-N-(3-nitrophenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 9070905
(E)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 55864211

Frequently Asked Questions

What is the IUPAC name of (E)-3-(1-phenylpyrazol-4-yl)-N-(6-pyrazol-1-yl-3-pyridinyl)prop-2-enamide?
The IUPAC name of (E)-3-(1-phenylpyrazol-4-yl)-N-(6-pyrazol-1-yl-3-pyridinyl)prop-2-enamide (CID 55560332) is (E)-3-(1-phenylpyrazol-4-yl)-N-(6-pyrazol-1-yl-3-pyridinyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(1-phenylpyrazol-4-yl)-N-(6-pyrazol-1-yl-3-pyridinyl)prop-2-enamide?
The canonical SMILES for (E)-3-(1-phenylpyrazol-4-yl)-N-(6-pyrazol-1-yl-3-pyridinyl)prop-2-enamide is O=C(/C=C/c1cnn(-c2ccccc2)c1)Nc1ccc(-n2cccn2)nc1.
What is the InChIKey of (E)-3-(1-phenylpyrazol-4-yl)-N-(6-pyrazol-1-yl-3-pyridinyl)prop-2-enamide?
The InChIKey is XGCKUDIHBGZLES-JXMROGBWSA-N. The full InChI is InChI=1S/C20H16N6O/c27-20(24-17-8-9-19(21-14-17)25-12-4-11-22-25)10-7-16-13-23-26(15-16)18-5-2-1-3-6-18/h1-15H,(H,24,27)/b10-7+.
What are the key properties of (E)-3-(1-phenylpyrazol-4-yl)-N-(6-pyrazol-1-yl-3-pyridinyl)prop-2-enamide?
(E)-3-(1-phenylpyrazol-4-yl)-N-(6-pyrazol-1-yl-3-pyridinyl)prop-2-enamide has a molecular weight of 356.39 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1-phenylpyrazol-4-yl)-N-(6-pyrazol-1-yl-3-pyridinyl)prop-2-enamide is sourced from PubChem (CID 55560332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).