(E)-3-(1-phenylpyrazol-4-yl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide

C23H22N4O2 — CID 46535526

IUPAC(E)-3-(1-phenylpyrazol-4-yl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1cnn(-c2ccccc2)c1)Nc1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C23H22N4O2/c28-22(13-8-18-16-24-27(17-18)21-6-2-1-3-7-21)25-20-11-9-19(10-12-20)23(29)26-14-4-5-15-26/h1-3,6-13,16-17H,4-5,14-15H2,(H,25,28)/b13-8+
InChIKeyJFFSOVHVFFFIEK-MDWZMJQESA-N
MW386.46 g/mol
LogP3.76
Rot. Bonds5

About (E)-3-(1-phenylpyrazol-4-yl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide

(E)-3-(1-phenylpyrazol-4-yl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide (PubChem CID 46535526) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is (E)-3-(1-phenylpyrazol-4-yl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(1-phenylpyrazol-4-yl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide
PubChem CID46535526
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name(E)-3-(1-phenylpyrazol-4-yl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1cnn(-c2ccccc2)c1)Nc1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C23H22N4O2/c28-22(13-8-18-16-24-27(17-18)21-6-2-1-3-7-21)25-20-11-9-19(10-12-20)23(29)26-14-4-5-15-26/h1-3,6-13,16-17H,4-5,14-15H2,(H,25,28)/b13-8+
InChIKeyJFFSOVHVFFFIEK-MDWZMJQESA-N
XLogP3.76
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(1-phenylpyrazol-4-yl)-N-pyridin-4-ylprop-2-enamide
CID 37217328
2-(1-phenylpyrazol-4-yl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 46535527
(E)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 55414815
(E)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 8589933
(E)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 55864211
4-[[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]amino]benzoic acid
CID 43170119
(E)-3-(1-phenylpyrazol-4-yl)-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]prop-2-en-1-one
CID 46628138
azepan-1-yl-(1-phenylpyrazol-4-yl)methanone
CID 60667576
(E)-N-(3-methylsulfanylphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 9072683
(E)-3-(2-methylphenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide
CID 24655371
(E)-N-(3-oxo-1,2-dihydroisoindol-5-yl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 51099796
(E)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 46627854

Frequently Asked Questions

What is the IUPAC name of (E)-3-(1-phenylpyrazol-4-yl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(1-phenylpyrazol-4-yl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide (CID 46535526) is (E)-3-(1-phenylpyrazol-4-yl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(1-phenylpyrazol-4-yl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(1-phenylpyrazol-4-yl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide is O=C(/C=C/c1cnn(-c2ccccc2)c1)Nc1ccc(C(=O)N2CCCC2)cc1.
What is the InChIKey of (E)-3-(1-phenylpyrazol-4-yl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide?
The InChIKey is JFFSOVHVFFFIEK-MDWZMJQESA-N. The full InChI is InChI=1S/C23H22N4O2/c28-22(13-8-18-16-24-27(17-18)21-6-2-1-3-7-21)25-20-11-9-19(10-12-20)23(29)26-14-4-5-15-26/h1-3,6-13,16-17H,4-5,14-15H2,(H,25,28)/b13-8+.
What are the key properties of (E)-3-(1-phenylpyrazol-4-yl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide?
(E)-3-(1-phenylpyrazol-4-yl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide has a molecular weight of 386.46 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1-phenylpyrazol-4-yl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide is sourced from PubChem (CID 46535526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).