(E)-N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-3-(3-methylphenyl)prop-2-enamide

C23H23N5O — CID 38772287

IUPAC(E)-N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-3-(3-methylphenyl)prop-2-enamide
SMILESCc1cccc(/C=C/C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)c1
InChIInChI=1S/C23H23N5O/c1-17-7-5-8-18(15-17)12-13-22(29)26-14-6-11-21-20(16-24)23(25)28(27-21)19-9-3-2-4-10-19/h2-5,7-10,12-13,15H,6,11,14,25H2,1H3,(H,26,29)/b13-12+
InChIKeyMKYKDYMJQVKHIV-OUKQBFOZSA-N
MW385.47 g/mol
LogP3.40
Rot. Bonds7

About (E)-N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-3-(3-methylphenyl)prop-2-enamide

(E)-N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-3-(3-methylphenyl)prop-2-enamide (PubChem CID 38772287) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is (E)-N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-3-(3-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-3-(3-methylphenyl)prop-2-enamide
PubChem CID38772287
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC Name(E)-N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-3-(3-methylphenyl)prop-2-enamide
SMILESCc1cccc(/C=C/C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)c1
InChIInChI=1S/C23H23N5O/c1-17-7-5-8-18(15-17)12-13-22(29)26-14-6-11-21-20(16-24)23(25)28(27-21)19-9-3-2-4-10-19/h2-5,7-10,12-13,15H,6,11,14,25H2,1H3,(H,26,29)/b13-12+
InChIKeyMKYKDYMJQVKHIV-OUKQBFOZSA-N
XLogP3.40
TPSA96.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E)-N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-3-(3-methylphenyl)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)-N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 38772311
N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 46411593
3,5-diacetamido-N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]benzamide
CID 55578965
N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 38307287
N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-2-methoxybenzamide
CID 38784665
N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-3-nitrobenzamide
CID 38784646
1-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-3-[(2,4-dimethylphenyl)methyl]-2-methylguanidine
CID 111938585
1-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-3-[(3-methoxyphenyl)methyl]urea
CID 38225866
2-amino-N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-4,4,4-trifluoro-3-hydroxy-3-methylbutanamide
CID 166391694
N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-2-phenylmethoxypropanamide
CID 55651365
1-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-2-methyl-3-propylguanidine
CID 111226879
N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-2-(4-chloro-2-methylphenoxy)acetamide
CID 38784773

Frequently Asked Questions

What is the IUPAC name of (E)-N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-3-(3-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-3-(3-methylphenyl)prop-2-enamide (CID 38772287) is (E)-N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-3-(3-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-3-(3-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-3-(3-methylphenyl)prop-2-enamide is Cc1cccc(/C=C/C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)c1.
What is the InChIKey of (E)-N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-3-(3-methylphenyl)prop-2-enamide?
The InChIKey is MKYKDYMJQVKHIV-OUKQBFOZSA-N. The full InChI is InChI=1S/C23H23N5O/c1-17-7-5-8-18(15-17)12-13-22(29)26-14-6-11-21-20(16-24)23(25)28(27-21)19-9-3-2-4-10-19/h2-5,7-10,12-13,15H,6,11,14,25H2,1H3,(H,26,29)/b13-12+.
What are the key properties of (E)-N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-3-(3-methylphenyl)prop-2-enamide?
(E)-N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-3-(3-methylphenyl)prop-2-enamide has a molecular weight of 385.47 g/mol, XLogP of 3.40, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-3-(3-methylphenyl)prop-2-enamide is sourced from PubChem (CID 38772287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).