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

C14H15N3O — CID 78952338

IUPAC3-(2-methylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide
SMILESCc1cc(NC(=O)C=Cc2ccccc2C)n[nH]1
InChIInChI=1S/C14H15N3O/c1-10-5-3-4-6-12(10)7-8-14(18)15-13-9-11(2)16-17-13/h3-9H,1-2H3,(H2,15,16,17,18)
InChIKeyOCGDUESLSRWRKL-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.68
Rot. Bonds3

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

3-(2-methylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide (PubChem CID 78952338) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 3-(2-methylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide.

Molecular Properties

Compound Name3-(2-methylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide
PubChem CID78952338
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name3-(2-methylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide
SMILESCc1cc(NC(=O)C=Cc2ccccc2C)n[nH]1
InChIInChI=1S/C14H15N3O/c1-10-5-3-4-6-12(10)7-8-14(18)15-13-9-11(2)16-17-13/h3-9H,1-2H3,(H2,15,16,17,18)
InChIKeyOCGDUESLSRWRKL-UHFFFAOYSA-N
XLogP2.68
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2,4-dimethylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide
CID 78952320
(E)-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2-methylphenyl)prop-2-enamide
CID 43546569
(E)-3-(2,5-dichlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide
CID 55260405
N-(5-methyl-1H-pyrazol-3-yl)-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 77020045
(E)-3-(4-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide
CID 55028215
(E)-3-(2-fluorophenyl)-N-(5-propyl-1H-pyrazol-3-yl)prop-2-enamide
CID 115621183
(E)-3-(2,4-dimethylphenyl)-N-(5-propyl-1H-pyrazol-3-yl)prop-2-enamide
CID 115621226
(E)-3-(4-methoxy-2,6-dimethylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide
CID 84552797
(E)-3-(3,4-dimethoxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide
CID 2426610
(E)-N-(5-methyl-1H-pyrazol-3-yl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 63819721
N-(5-methyl-1H-pyrazol-3-yl)-3-oxo-3-phenylpropanamide
CID 110463355
(5-methyl-1H-pyrazol-3-yl)carbamic acid
CID 23091960

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide?
The IUPAC name of 3-(2-methylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide (CID 78952338) is 3-(2-methylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide.
What is the SMILES notation for 3-(2-methylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide?
The canonical SMILES for 3-(2-methylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide is Cc1cc(NC(=O)C=Cc2ccccc2C)n[nH]1.
What is the InChIKey of 3-(2-methylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide?
The InChIKey is OCGDUESLSRWRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-10-5-3-4-6-12(10)7-8-14(18)15-13-9-11(2)16-17-13/h3-9H,1-2H3,(H2,15,16,17,18).
What are the key properties of 3-(2-methylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide?
3-(2-methylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide has a molecular weight of 241.29 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide is sourced from PubChem (CID 78952338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).