(E)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-phenylprop-2-enamide

C20H19N3O2 — CID 754050

IUPAC(E)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-phenylprop-2-enamide
SMILESCc1c(NC(=O)/C=C/c2ccccc2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C20H19N3O2/c1-15-19(21-18(24)14-13-16-9-5-3-6-10-16)20(25)23(22(15)2)17-11-7-4-8-12-17/h3-14H,1-2H3,(H,21,24)/b14-13+
InChIKeyYRMVEYWFVDONFK-BUHFOSPRSA-N
MW333.39 g/mol
LogP3.14
Rot. Bonds4

About (E)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-phenylprop-2-enamide

(E)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-phenylprop-2-enamide (PubChem CID 754050) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is (E)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-phenylprop-2-enamide
PubChem CID754050
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name(E)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-phenylprop-2-enamide
SMILESCc1c(NC(=O)/C=C/c2ccccc2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C20H19N3O2/c1-15-19(21-18(24)14-13-16-9-5-3-6-10-16)20(25)23(22(15)2)17-11-7-4-8-12-17/h3-14H,1-2H3,(H,21,24)/b14-13+
InChIKeyYRMVEYWFVDONFK-BUHFOSPRSA-N
XLogP3.14
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-phenylprop-2-enamide (CID 754050) is (E)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-phenylprop-2-enamide is Cc1c(NC(=O)/C=C/c2ccccc2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of (E)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-phenylprop-2-enamide?
The InChIKey is YRMVEYWFVDONFK-BUHFOSPRSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-15-19(21-18(24)14-13-16-9-5-3-6-10-16)20(25)23(22(15)2)17-11-7-4-8-12-17/h3-14H,1-2H3,(H,21,24)/b14-13+.
What are the key properties of (E)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-phenylprop-2-enamide?
(E)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-phenylprop-2-enamide has a molecular weight of 333.39 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-phenylprop-2-enamide is sourced from PubChem (CID 754050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).