N-(2,2-diphenylpropyl)-3-(1-methylpyrazol-4-yl)prop-2-enamide

C22H23N3O — CID 74290300

IUPACN-(2,2-diphenylpropyl)-3-(1-methylpyrazol-4-yl)prop-2-enamide
SMILESCn1cc(C=CC(=O)NCC(C)(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C22H23N3O/c1-22(19-9-5-3-6-10-19,20-11-7-4-8-12-20)17-23-21(26)14-13-18-15-24-25(2)16-18/h3-16H,17H2,1-2H3,(H,23,26)
InChIKeyJYJLFNMSJUSGET-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.56
Rot. Bonds6

About N-(2,2-diphenylpropyl)-3-(1-methylpyrazol-4-yl)prop-2-enamide

N-(2,2-diphenylpropyl)-3-(1-methylpyrazol-4-yl)prop-2-enamide (PubChem CID 74290300) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is N-(2,2-diphenylpropyl)-3-(1-methylpyrazol-4-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(2,2-diphenylpropyl)-3-(1-methylpyrazol-4-yl)prop-2-enamide
PubChem CID74290300
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC NameN-(2,2-diphenylpropyl)-3-(1-methylpyrazol-4-yl)prop-2-enamide
SMILESCn1cc(C=CC(=O)NCC(C)(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C22H23N3O/c1-22(19-9-5-3-6-10-19,20-11-7-4-8-12-20)17-23-21(26)14-13-18-15-24-25(2)16-18/h3-16H,17H2,1-2H3,(H,23,26)
InChIKeyJYJLFNMSJUSGET-UHFFFAOYSA-N
XLogP3.56
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.56
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

(E)-N-[2-ethyl-2-(hydroxymethyl)butyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 103843789
(E)-3-(1-methylpyrazol-4-yl)-N-(1-phenylethyl)prop-2-enamide
CID 17393178
(E)-N-(2-chloroprop-2-enyl)-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 115636816
(E)-N-[3-(N-ethylanilino)propyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 24654920
(E)-N-(4-hydroxy-2-methylbutan-2-yl)-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 115968812
(E)-N-(2-hydroxy-4-methylpentyl)-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 103771207
(E)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 19571682
N-(2-hydroxy-2,3-dimethylpentyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 111463582
4-[[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]amino]benzoic acid
CID 43170119
(E)-3-(1-methylpyrazol-4-yl)-N-[(E)-pent-3-enyl]prop-2-enamide
CID 115628045
2-[2-[3-(1-methylpyrazol-4-yl)prop-2-enoylamino]ethoxy]acetic acid
CID 79457633
N-[2-(hydroxymethyl)phenyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 61497888

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diphenylpropyl)-3-(1-methylpyrazol-4-yl)prop-2-enamide?
The IUPAC name of N-(2,2-diphenylpropyl)-3-(1-methylpyrazol-4-yl)prop-2-enamide (CID 74290300) is N-(2,2-diphenylpropyl)-3-(1-methylpyrazol-4-yl)prop-2-enamide.
What is the SMILES notation for N-(2,2-diphenylpropyl)-3-(1-methylpyrazol-4-yl)prop-2-enamide?
The canonical SMILES for N-(2,2-diphenylpropyl)-3-(1-methylpyrazol-4-yl)prop-2-enamide is Cn1cc(C=CC(=O)NCC(C)(c2ccccc2)c2ccccc2)cn1.
What is the InChIKey of N-(2,2-diphenylpropyl)-3-(1-methylpyrazol-4-yl)prop-2-enamide?
The InChIKey is JYJLFNMSJUSGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-22(19-9-5-3-6-10-19,20-11-7-4-8-12-20)17-23-21(26)14-13-18-15-24-25(2)16-18/h3-16H,17H2,1-2H3,(H,23,26).
What are the key properties of N-(2,2-diphenylpropyl)-3-(1-methylpyrazol-4-yl)prop-2-enamide?
N-(2,2-diphenylpropyl)-3-(1-methylpyrazol-4-yl)prop-2-enamide has a molecular weight of 345.45 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diphenylpropyl)-3-(1-methylpyrazol-4-yl)prop-2-enamide is sourced from PubChem (CID 74290300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).