(E)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide

C25H28N4O2 — CID 42891904

IUPAC(E)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide
SMILESCOc1ccccc1C(CNC(=O)/C=C/c1cnn(-c2ccccc2)c1)N1CCCC1
InChIInChI=1S/C25H28N4O2/c1-31-24-12-6-5-11-22(24)23(28-15-7-8-16-28)18-26-25(30)14-13-20-17-27-29(19-20)21-9-3-2-4-10-21/h2-6,9-14,17,19,23H,7-8,15-16,18H2,1H3,(H,26,30)/b14-13+
InChIKeySQSGALJBOWSLFV-BUHFOSPRSA-N
MW416.53 g/mol
LogP3.85
Rot. Bonds8

About (E)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide

(E)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide (PubChem CID 42891904) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is (E)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide
PubChem CID42891904
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC Name(E)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide
SMILESCOc1ccccc1C(CNC(=O)/C=C/c1cnn(-c2ccccc2)c1)N1CCCC1
InChIInChI=1S/C25H28N4O2/c1-31-24-12-6-5-11-22(24)23(28-15-7-8-16-28)18-26-25(30)14-13-20-17-27-29(19-20)21-9-3-2-4-10-21/h2-6,9-14,17,19,23H,7-8,15-16,18H2,1H3,(H,26,30)/b14-13+
InChIKeySQSGALJBOWSLFV-BUHFOSPRSA-N
XLogP3.85
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-(1-phenylpyrazol-4-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)prop-2-enamide
CID 42923712
(E)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 42889429
(E)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 55522169
3-(2-methoxyphenyl)-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-phenylpyrazole-4-carboxamide
CID 25479424
(E)-N-(3-methyl-2-morpholin-4-ylbutyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 55519710
N-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 55674374
3-cyclopropyl-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-phenylpyrazole-5-carboxamide
CID 43019758
methyl 1-[[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]cyclohexane-1-carboxylate
CID 46520052
methyl 4-[[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]carbamoyl]benzoate
CID 60533855
N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]cyclobutanecarboxamide
CID 30522180
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 167854067
2-iodo-N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 31307195

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide?
The IUPAC name of (E)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide (CID 42891904) is (E)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide is COc1ccccc1C(CNC(=O)/C=C/c1cnn(-c2ccccc2)c1)N1CCCC1.
What is the InChIKey of (E)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide?
The InChIKey is SQSGALJBOWSLFV-BUHFOSPRSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-31-24-12-6-5-11-22(24)23(28-15-7-8-16-28)18-26-25(30)14-13-20-17-27-29(19-20)21-9-3-2-4-10-21/h2-6,9-14,17,19,23H,7-8,15-16,18H2,1H3,(H,26,30)/b14-13+.
What are the key properties of (E)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide?
(E)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide has a molecular weight of 416.53 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide is sourced from PubChem (CID 42891904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).