N-(2,4-difluoro-5-methylphenyl)-N-[(2-methylpyrazol-3-yl)methyl]prop-2-enamide

C15H15F2N3O — CID 166419882

IUPACN-(2,4-difluoro-5-methylphenyl)-N-[(2-methylpyrazol-3-yl)methyl]prop-2-enamide
SMILESC=CC(=O)N(Cc1ccnn1C)c1cc(C)c(F)cc1F
InChIInChI=1S/C15H15F2N3O/c1-4-15(21)20(9-11-5-6-18-19(11)3)14-7-10(2)12(16)8-13(14)17/h4-8H,1,9H2,2-3H3
InChIKeyKKTNMQLBZKOZSZ-UHFFFAOYSA-N
MW291.30 g/mol
LogP2.73
Rot. Bonds4

About N-(2,4-difluoro-5-methylphenyl)-N-[(2-methylpyrazol-3-yl)methyl]prop-2-enamide

N-(2,4-difluoro-5-methylphenyl)-N-[(2-methylpyrazol-3-yl)methyl]prop-2-enamide (PubChem CID 166419882) has the molecular formula C15H15F2N3O and a molecular weight of 291.30 g/mol. Its IUPAC name is N-(2,4-difluoro-5-methylphenyl)-N-[(2-methylpyrazol-3-yl)methyl]prop-2-enamide.

Molecular Properties

Compound NameN-(2,4-difluoro-5-methylphenyl)-N-[(2-methylpyrazol-3-yl)methyl]prop-2-enamide
PubChem CID166419882
Molecular FormulaC15H15F2N3O
Molecular Weight291.30 g/mol
Exact Mass291.12
IUPAC NameN-(2,4-difluoro-5-methylphenyl)-N-[(2-methylpyrazol-3-yl)methyl]prop-2-enamide
SMILESC=CC(=O)N(Cc1ccnn1C)c1cc(C)c(F)cc1F
InChIInChI=1S/C15H15F2N3O/c1-4-15(21)20(9-11-5-6-18-19(11)3)14-7-10(2)12(16)8-13(14)17/h4-8H,1,9H2,2-3H3
InChIKeyKKTNMQLBZKOZSZ-UHFFFAOYSA-N
XLogP2.73
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-methylpyrazol-3-yl)methyl]-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)prop-2-enamide
CID 166415580
N-[(5-tert-butylthiophen-2-yl)methyl]-N-[2-(2-methylpyrazol-3-yl)ethyl]prop-2-enamide
CID 166423690
2-chloro-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 19619342
N-methyl-N-[(2-methylpyrazol-3-yl)methyl]methanesulfonamide
CID 119106360
2,4-dichloro-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 19581466
3,4,5-trifluoro-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 55167887
(4-fluoro-3-methylphenyl)-(2-methylpyrazol-3-yl)methanone
CID 63960955
2-methyl-3-[methyl-[(2-methylpyrazol-3-yl)methyl]amino]propanoic acid
CID 65067288
N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-(4-methyl-3-methylsulfonylphenyl)prop-2-enamide
CID 166415661
4-[methyl-[(2-methylpyrazol-3-yl)methyl]amino]butan-2-ol
CID 115883105
N-(5-chloro-2-methylphenyl)-2-[(2-methylpyrazol-3-yl)methylamino]acetamide
CID 63302325
3,4,5-trifluoro-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide
CID 104693722

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluoro-5-methylphenyl)-N-[(2-methylpyrazol-3-yl)methyl]prop-2-enamide?
The IUPAC name of N-(2,4-difluoro-5-methylphenyl)-N-[(2-methylpyrazol-3-yl)methyl]prop-2-enamide (CID 166419882) is N-(2,4-difluoro-5-methylphenyl)-N-[(2-methylpyrazol-3-yl)methyl]prop-2-enamide.
What is the SMILES notation for N-(2,4-difluoro-5-methylphenyl)-N-[(2-methylpyrazol-3-yl)methyl]prop-2-enamide?
The canonical SMILES for N-(2,4-difluoro-5-methylphenyl)-N-[(2-methylpyrazol-3-yl)methyl]prop-2-enamide is C=CC(=O)N(Cc1ccnn1C)c1cc(C)c(F)cc1F.
What is the InChIKey of N-(2,4-difluoro-5-methylphenyl)-N-[(2-methylpyrazol-3-yl)methyl]prop-2-enamide?
The InChIKey is KKTNMQLBZKOZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3O/c1-4-15(21)20(9-11-5-6-18-19(11)3)14-7-10(2)12(16)8-13(14)17/h4-8H,1,9H2,2-3H3.
What are the key properties of N-(2,4-difluoro-5-methylphenyl)-N-[(2-methylpyrazol-3-yl)methyl]prop-2-enamide?
N-(2,4-difluoro-5-methylphenyl)-N-[(2-methylpyrazol-3-yl)methyl]prop-2-enamide has a molecular weight of 291.30 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluoro-5-methylphenyl)-N-[(2-methylpyrazol-3-yl)methyl]prop-2-enamide is sourced from PubChem (CID 166419882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).