(E)-N-[(4-fluoro-3-methylphenyl)methyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide

C20H18FN3O — CID 33305743

IUPAC(E)-N-[(4-fluoro-3-methylphenyl)methyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide
SMILESCc1cc(CNC(=O)/C=C/c2cnn(-c3ccccc3)c2)ccc1F
InChIInChI=1S/C20H18FN3O/c1-15-11-16(7-9-19(15)21)12-22-20(25)10-8-17-13-23-24(14-17)18-5-3-2-4-6-18/h2-11,13-14H,12H2,1H3,(H,22,25)/b10-8+
InChIKeyACGFLNJBLFGISJ-CSKARUKUSA-N
MW335.38 g/mol
LogP3.65
Rot. Bonds5

About (E)-N-[(4-fluoro-3-methylphenyl)methyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide

(E)-N-[(4-fluoro-3-methylphenyl)methyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide (PubChem CID 33305743) has the molecular formula C20H18FN3O and a molecular weight of 335.38 g/mol. Its IUPAC name is (E)-N-[(4-fluoro-3-methylphenyl)methyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(4-fluoro-3-methylphenyl)methyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide
PubChem CID33305743
Molecular FormulaC20H18FN3O
Molecular Weight335.38 g/mol
Exact Mass335.14
IUPAC Name(E)-N-[(4-fluoro-3-methylphenyl)methyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide
SMILESCc1cc(CNC(=O)/C=C/c2cnn(-c3ccccc3)c2)ccc1F
InChIInChI=1S/C20H18FN3O/c1-15-11-16(7-9-19(15)21)12-22-20(25)10-8-17-13-23-24(14-17)18-5-3-2-4-6-18/h2-11,13-14H,12H2,1H3,(H,22,25)/b10-8+
InChIKeyACGFLNJBLFGISJ-CSKARUKUSA-N
XLogP3.65
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 75895788
(E)-3-(1-phenylpyrazol-4-yl)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]prop-2-enamide
CID 34500553
N-[(4-fluoro-3-methylphenyl)methyl]-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide
CID 35057961
(E)-N-butyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 47118618
(E)-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 8944723
N-[(4-fluoro-3-methylphenyl)methyl]-4-hydroxy-1-phenylpyrazole-3-carboxamide
CID 112806377
(E)-N-[2-(tert-butylamino)-2-oxoethyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 8547505
N-[(3-fluoro-4-methylphenyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 18152786
benzyl 2-[[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]acetate
CID 26831536
4-fluoro-N'-[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]benzohydrazide
CID 8870842
1-(2-fluorophenyl)-3-[[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]thiourea
CID 9085203
(E)-N-(2-ethyl-6-methylphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 46615951

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(4-fluoro-3-methylphenyl)methyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide?
The IUPAC name of (E)-N-[(4-fluoro-3-methylphenyl)methyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide (CID 33305743) is (E)-N-[(4-fluoro-3-methylphenyl)methyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[(4-fluoro-3-methylphenyl)methyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[(4-fluoro-3-methylphenyl)methyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide is Cc1cc(CNC(=O)/C=C/c2cnn(-c3ccccc3)c2)ccc1F.
What is the InChIKey of (E)-N-[(4-fluoro-3-methylphenyl)methyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide?
The InChIKey is ACGFLNJBLFGISJ-CSKARUKUSA-N. The full InChI is InChI=1S/C20H18FN3O/c1-15-11-16(7-9-19(15)21)12-22-20(25)10-8-17-13-23-24(14-17)18-5-3-2-4-6-18/h2-11,13-14H,12H2,1H3,(H,22,25)/b10-8+.
What are the key properties of (E)-N-[(4-fluoro-3-methylphenyl)methyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide?
(E)-N-[(4-fluoro-3-methylphenyl)methyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide has a molecular weight of 335.38 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(4-fluoro-3-methylphenyl)methyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide is sourced from PubChem (CID 33305743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).