2-methyl-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)prop-2-enamide

C13H13N3O2 — CID 19032235

IUPAC2-methyl-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)prop-2-enamide
SMILESC=C(C)C(=O)Nc1cc(=O)n(-c2ccccc2)[nH]1
InChIInChI=1S/C13H13N3O2/c1-9(2)13(18)14-11-8-12(17)16(15-11)10-6-4-3-5-7-10/h3-8,15H,1H2,2H3,(H,14,18)
InChIKeyTZSJAVRADXYUJU-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.68
Rot. Bonds3

About 2-methyl-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)prop-2-enamide

2-methyl-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)prop-2-enamide (PubChem CID 19032235) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 2-methyl-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)prop-2-enamide
PubChem CID19032235
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name2-methyl-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)prop-2-enamide
SMILESC=C(C)C(=O)Nc1cc(=O)n(-c2ccccc2)[nH]1
InChIInChI=1S/C13H13N3O2/c1-9(2)13(18)14-11-8-12(17)16(15-11)10-6-4-3-5-7-10/h3-8,15H,1H2,2H3,(H,14,18)
InChIKeyTZSJAVRADXYUJU-UHFFFAOYSA-N
XLogP1.68
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2-methyl-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)prop-2-enamide?
The IUPAC name of 2-methyl-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)prop-2-enamide (CID 19032235) is 2-methyl-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)prop-2-enamide.
What is the SMILES notation for 2-methyl-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)prop-2-enamide?
The canonical SMILES for 2-methyl-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)prop-2-enamide is C=C(C)C(=O)Nc1cc(=O)n(-c2ccccc2)[nH]1.
What is the InChIKey of 2-methyl-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)prop-2-enamide?
The InChIKey is TZSJAVRADXYUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-9(2)13(18)14-11-8-12(17)16(15-11)10-6-4-3-5-7-10/h3-8,15H,1H2,2H3,(H,14,18).
What are the key properties of 2-methyl-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)prop-2-enamide?
2-methyl-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)prop-2-enamide has a molecular weight of 243.27 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)prop-2-enamide is sourced from PubChem (CID 19032235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).