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

C15H16FN3O — CID 166419917

IUPACN-(2-fluoro-3-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]prop-2-enamide
SMILESC=CC(=O)N(Cc1cnn(C)c1)c1cccc(C)c1F
InChIInChI=1S/C15H16FN3O/c1-4-14(20)19(10-12-8-17-18(3)9-12)13-7-5-6-11(2)15(13)16/h4-9H,1,10H2,2-3H3
InChIKeyUNPHBHHTFWOFRX-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.59
Rot. Bonds4

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

N-(2-fluoro-3-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]prop-2-enamide (PubChem CID 166419917) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is N-(2-fluoro-3-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]prop-2-enamide.

Molecular Properties

Compound NameN-(2-fluoro-3-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]prop-2-enamide
PubChem CID166419917
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC NameN-(2-fluoro-3-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]prop-2-enamide
SMILESC=CC(=O)N(Cc1cnn(C)c1)c1cccc(C)c1F
InChIInChI=1S/C15H16FN3O/c1-4-14(20)19(10-12-8-17-18(3)9-12)13-7-5-6-11(2)15(13)16/h4-9H,1,10H2,2-3H3
InChIKeyUNPHBHHTFWOFRX-UHFFFAOYSA-N
XLogP2.59
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.59
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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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-3-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]prop-2-enamide?
The IUPAC name of N-(2-fluoro-3-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]prop-2-enamide (CID 166419917) is N-(2-fluoro-3-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]prop-2-enamide.
What is the SMILES notation for N-(2-fluoro-3-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]prop-2-enamide?
The canonical SMILES for N-(2-fluoro-3-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]prop-2-enamide is C=CC(=O)N(Cc1cnn(C)c1)c1cccc(C)c1F.
What is the InChIKey of N-(2-fluoro-3-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]prop-2-enamide?
The InChIKey is UNPHBHHTFWOFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c1-4-14(20)19(10-12-8-17-18(3)9-12)13-7-5-6-11(2)15(13)16/h4-9H,1,10H2,2-3H3.
What are the key properties of N-(2-fluoro-3-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]prop-2-enamide?
N-(2-fluoro-3-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]prop-2-enamide has a molecular weight of 273.31 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-3-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]prop-2-enamide is sourced from PubChem (CID 166419917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).