3-(1-phenylpyrazol-4-yl)prop-2-enamide

C12H11N3O — CID 169482421

IUPAC3-(1-phenylpyrazol-4-yl)prop-2-enamide
SMILESNC(=O)C=Cc1cnn(-c2ccccc2)c1
InChIInChI=1S/C12H11N3O/c13-12(16)7-6-10-8-14-15(9-10)11-4-2-1-3-5-11/h1-9H,(H2,13,16)
InChIKeyQCGQAAUBWFTEFT-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.37
Rot. Bonds3

About 3-(1-phenylpyrazol-4-yl)prop-2-enamide

3-(1-phenylpyrazol-4-yl)prop-2-enamide (PubChem CID 169482421) has the molecular formula C12H11N3O and a molecular weight of 213.24 g/mol. Its IUPAC name is 3-(1-phenylpyrazol-4-yl)prop-2-enamide.

Molecular Properties

Compound Name3-(1-phenylpyrazol-4-yl)prop-2-enamide
PubChem CID169482421
Molecular FormulaC12H11N3O
Molecular Weight213.24 g/mol
Exact Mass213.09
IUPAC Name3-(1-phenylpyrazol-4-yl)prop-2-enamide
SMILESNC(=O)C=Cc1cnn(-c2ccccc2)c1
InChIInChI=1S/C12H11N3O/c13-12(16)7-6-10-8-14-15(9-10)11-4-2-1-3-5-11/h1-9H,(H2,13,16)
InChIKeyQCGQAAUBWFTEFT-UHFFFAOYSA-N
XLogP1.37
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.37
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

(Z)-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 170877893
(E)-1-(4-bromophenyl)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one
CID 9026830
(E)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-ol
CID 22631090
(E)-1-(3-hydroxyphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one
CID 9033178
(E)-3-(1-phenylpyrazol-4-yl)-N-pyridin-4-ylprop-2-enamide
CID 37217328
benzyl 2-[[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]acetate
CID 26831536
(E)-1-(3,5-dimethylpiperidin-1-yl)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one
CID 24654413
(E)-N-butyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 47118618
(E)-N-(1-hydroxypropan-2-yl)-N-methyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 109388413
(E)-1-(1H-indol-3-yl)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one
CID 78874032
(E)-1-(4-ethoxyphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one
CID 27818685
4-fluoro-N'-[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]benzohydrazide
CID 8870842

Frequently Asked Questions

What is the IUPAC name of 3-(1-phenylpyrazol-4-yl)prop-2-enamide?
The IUPAC name of 3-(1-phenylpyrazol-4-yl)prop-2-enamide (CID 169482421) is 3-(1-phenylpyrazol-4-yl)prop-2-enamide.
What is the SMILES notation for 3-(1-phenylpyrazol-4-yl)prop-2-enamide?
The canonical SMILES for 3-(1-phenylpyrazol-4-yl)prop-2-enamide is NC(=O)C=Cc1cnn(-c2ccccc2)c1.
What is the InChIKey of 3-(1-phenylpyrazol-4-yl)prop-2-enamide?
The InChIKey is QCGQAAUBWFTEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O/c13-12(16)7-6-10-8-14-15(9-10)11-4-2-1-3-5-11/h1-9H,(H2,13,16).
What are the key properties of 3-(1-phenylpyrazol-4-yl)prop-2-enamide?
3-(1-phenylpyrazol-4-yl)prop-2-enamide has a molecular weight of 213.24 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-phenylpyrazol-4-yl)prop-2-enamide is sourced from PubChem (CID 169482421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).