(E)-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enamide

C24H23ClN4O2 — CID 46692727

IUPAC(E)-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enamide
SMILESCc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1
InChIInChI=1S/C24H23ClN4O2/c1-16-20(17(2)29(27-16)19-7-4-3-5-8-19)11-13-23(30)26-18-10-12-22(21(25)15-18)28-14-6-9-24(28)31/h3-5,7-8,10-13,15H,6,9,14H2,1-2H3,(H,26,30)/b13-11+
InChIKeyMICISUDBFWZJHV-ACCUITESSA-N
MW434.93 g/mol
LogP4.92
Rot. Bonds5

About (E)-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enamide

(E)-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enamide (PubChem CID 46692727) has the molecular formula C24H23ClN4O2 and a molecular weight of 434.93 g/mol. Its IUPAC name is (E)-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enamide
PubChem CID46692727
Molecular FormulaC24H23ClN4O2
Molecular Weight434.93 g/mol
Exact Mass434.15
IUPAC Name(E)-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enamide
SMILESCc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1
InChIInChI=1S/C24H23ClN4O2/c1-16-20(17(2)29(27-16)19-7-4-3-5-8-19)11-13-23(30)26-18-10-12-22(21(25)15-18)28-14-6-9-24(28)31/h3-5,7-8,10-13,15H,6,9,14H2,1-2H3,(H,26,30)/b13-11+
InChIKeyMICISUDBFWZJHV-ACCUITESSA-N
XLogP4.92
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.93
LogP ≤ 54.92
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-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]prop-2-enamide
CID 46616368
1-[3-[(E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoyl]phenyl]pyrrolidin-2-one
CID 24501752
N-(3,4-dichlorophenyl)-3-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]prop-2-enamide
CID 4968997
(E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(3-fluorophenyl)prop-2-enamide
CID 26086463
(E)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
CID 26955793
(E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(4-methoxyphenyl)prop-2-enamide
CID 26086243
(E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]prop-2-enamide
CID 26956006
(E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 26249588
(E)-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide
CID 24600293
(E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(3-nitrophenyl)prop-2-enamide
CID 26719346
(E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[3-(dimethylsulfamoyl)phenyl]prop-2-enamide
CID 26289208
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 30589393

Frequently Asked Questions

What is the IUPAC name of (E)-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enamide?
The IUPAC name of (E)-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enamide (CID 46692727) is (E)-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enamide is Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1.
What is the InChIKey of (E)-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enamide?
The InChIKey is MICISUDBFWZJHV-ACCUITESSA-N. The full InChI is InChI=1S/C24H23ClN4O2/c1-16-20(17(2)29(27-16)19-7-4-3-5-8-19)11-13-23(30)26-18-10-12-22(21(25)15-18)28-14-6-9-24(28)31/h3-5,7-8,10-13,15H,6,9,14H2,1-2H3,(H,26,30)/b13-11+.
What are the key properties of (E)-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enamide?
(E)-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enamide has a molecular weight of 434.93 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enamide is sourced from PubChem (CID 46692727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).