N-(1-phenyl-2-pyrazol-1-ylethyl)prop-2-enamide

C14H15N3O — CID 166406989

IUPACN-(1-phenyl-2-pyrazol-1-ylethyl)prop-2-enamide
SMILESC=CC(=O)NC(Cn1cccn1)c1ccccc1
InChIInChI=1S/C14H15N3O/c1-2-14(18)16-13(11-17-10-6-9-15-17)12-7-4-3-5-8-12/h2-10,13H,1,11H2,(H,16,18)
InChIKeyUMNBNHWISJXDKB-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.93
Rot. Bonds5

About N-(1-phenyl-2-pyrazol-1-ylethyl)prop-2-enamide

N-(1-phenyl-2-pyrazol-1-ylethyl)prop-2-enamide (PubChem CID 166406989) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is N-(1-phenyl-2-pyrazol-1-ylethyl)prop-2-enamide.

Molecular Properties

Compound NameN-(1-phenyl-2-pyrazol-1-ylethyl)prop-2-enamide
PubChem CID166406989
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC NameN-(1-phenyl-2-pyrazol-1-ylethyl)prop-2-enamide
SMILESC=CC(=O)NC(Cn1cccn1)c1ccccc1
InChIInChI=1S/C14H15N3O/c1-2-14(18)16-13(11-17-10-6-9-15-17)12-7-4-3-5-8-12/h2-10,13H,1,11H2,(H,16,18)
InChIKeyUMNBNHWISJXDKB-UHFFFAOYSA-N
XLogP1.93
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.93
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-[(1R)-1-phenyl-2-pyrazol-1-ylethyl]-4-prop-2-enylpiperazine-1-carboxamide
CID 126432931
N-(1-phenyl-2-pyrazol-1-ylethyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 91775636
2-(2,4-dioxoimidazolidin-1-yl)-N-(1-phenyl-2-pyrazol-1-ylethyl)acetamide
CID 77094542
N-[(1R)-1-phenyl-2-pyrazol-1-ylethyl]-3-(1,2,4-triazol-4-yl)benzamide
CID 95135581
2,4-dimethyl-5-[(1-phenyl-2-pyrazol-1-ylethyl)carbamoyl]-1H-pyrrole-3-carboxylic acid
CID 131917525
N-(1-phenyl-2-pyrazol-1-ylethyl)-3-(1,2,4-triazol-4-yl)benzamide
CID 50973724
3-(4-fluorophenyl)-N-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]-1H-pyrazole-5-carboxamide
CID 97129988
methyl 2-phenyl-3-pyrazol-1-ylpropanoate
CID 64567255
3-(2-oxopyrrolidin-1-yl)-N-(1-phenyl-2-pyrazol-1-ylethyl)propanamide
CID 131919618
N-(2-hydroxy-1-phenylethyl)-4-pyrazol-1-ylbutanamide
CID 91638874
3-(2-methylpropyl)-N-(1-phenyl-2-pyrazol-1-ylethyl)-1,2-oxazole-5-carboxamide
CID 70770272
(1R)-1-phenyl-2-pyrazol-1-ylethanol
CID 712326

Frequently Asked Questions

What is the IUPAC name of N-(1-phenyl-2-pyrazol-1-ylethyl)prop-2-enamide?
The IUPAC name of N-(1-phenyl-2-pyrazol-1-ylethyl)prop-2-enamide (CID 166406989) is N-(1-phenyl-2-pyrazol-1-ylethyl)prop-2-enamide.
What is the SMILES notation for N-(1-phenyl-2-pyrazol-1-ylethyl)prop-2-enamide?
The canonical SMILES for N-(1-phenyl-2-pyrazol-1-ylethyl)prop-2-enamide is C=CC(=O)NC(Cn1cccn1)c1ccccc1.
What is the InChIKey of N-(1-phenyl-2-pyrazol-1-ylethyl)prop-2-enamide?
The InChIKey is UMNBNHWISJXDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-2-14(18)16-13(11-17-10-6-9-15-17)12-7-4-3-5-8-12/h2-10,13H,1,11H2,(H,16,18).
What are the key properties of N-(1-phenyl-2-pyrazol-1-ylethyl)prop-2-enamide?
N-(1-phenyl-2-pyrazol-1-ylethyl)prop-2-enamide has a molecular weight of 241.29 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenyl-2-pyrazol-1-ylethyl)prop-2-enamide is sourced from PubChem (CID 166406989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).