N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-2-methoxy-3-phenylprop-2-enamide

C20H18FN3O2 — CID 154792704

IUPACN-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-2-methoxy-3-phenylprop-2-enamide
SMILESCOC(=Cc1ccccc1)C(=O)Nc1ccc(-n2cc(C)cn2)c(F)c1
InChIInChI=1S/C20H18FN3O2/c1-14-12-22-24(13-14)18-9-8-16(11-17(18)21)23-20(25)19(26-2)10-15-6-4-3-5-7-15/h3-13H,1-2H3,(H,23,25)
InChIKeyPGPNXOFKRKKQBY-UHFFFAOYSA-N
MW351.38 g/mol
LogP3.95
Rot. Bonds5

About N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-2-methoxy-3-phenylprop-2-enamide

N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-2-methoxy-3-phenylprop-2-enamide (PubChem CID 154792704) has the molecular formula C20H18FN3O2 and a molecular weight of 351.38 g/mol. Its IUPAC name is N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-2-methoxy-3-phenylprop-2-enamide.

Molecular Properties

Compound NameN-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-2-methoxy-3-phenylprop-2-enamide
PubChem CID154792704
Molecular FormulaC20H18FN3O2
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC NameN-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-2-methoxy-3-phenylprop-2-enamide
SMILESCOC(=Cc1ccccc1)C(=O)Nc1ccc(-n2cc(C)cn2)c(F)c1
InChIInChI=1S/C20H18FN3O2/c1-14-12-22-24(13-14)18-9-8-16(11-17(18)21)23-20(25)19(26-2)10-15-6-4-3-5-7-15/h3-13H,1-2H3,(H,23,25)
InChIKeyPGPNXOFKRKKQBY-UHFFFAOYSA-N
XLogP3.95
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]prop-2-enamide
CID 166408288
1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111437782
3-fluoro-N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]pyridine-4-carboxamide
CID 71874249
2-amino-N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-3-methylpentanamide;hydrochloride
CID 119796623
N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]piperidine-2-carboxamide
CID 119330858
N-[4-[2-[3-fluoro-4-(4-methylpyrazol-1-yl)anilino]-2-oxoethyl]phenyl]prop-2-enamide
CID 167846327
4-[[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122085082
1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-3-(3-hydroxybutyl)urea
CID 111435060
3-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-1-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-methylurea
CID 126794238
1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-3-(4-hydroxy-2,2-dimethylpentyl)urea
CID 111474913
(Z)-2-methoxy-N-(4-methoxyphenyl)-3-phenylprop-2-enamide
CID 56968197
[4-(4-carbamoylpyrazol-1-yl)-3-fluorophenyl]carbamic acid
CID 91043699

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-2-methoxy-3-phenylprop-2-enamide?
The IUPAC name of N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-2-methoxy-3-phenylprop-2-enamide (CID 154792704) is N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-2-methoxy-3-phenylprop-2-enamide.
What is the SMILES notation for N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-2-methoxy-3-phenylprop-2-enamide?
The canonical SMILES for N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-2-methoxy-3-phenylprop-2-enamide is COC(=Cc1ccccc1)C(=O)Nc1ccc(-n2cc(C)cn2)c(F)c1.
What is the InChIKey of N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-2-methoxy-3-phenylprop-2-enamide?
The InChIKey is PGPNXOFKRKKQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2/c1-14-12-22-24(13-14)18-9-8-16(11-17(18)21)23-20(25)19(26-2)10-15-6-4-3-5-7-15/h3-13H,1-2H3,(H,23,25).
What are the key properties of N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-2-methoxy-3-phenylprop-2-enamide?
N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-2-methoxy-3-phenylprop-2-enamide has a molecular weight of 351.38 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-2-methoxy-3-phenylprop-2-enamide is sourced from PubChem (CID 154792704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).