N-phenyl-2-[propyl-[(E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoyl]amino]propanamide

C21H28N4O2 — CID 47090603

IUPACN-phenyl-2-[propyl-[(E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoyl]amino]propanamide
SMILESCCCN(C(=O)/C=C/c1c(C)nn(C)c1C)C(C)C(=O)Nc1ccccc1
InChIInChI=1S/C21H28N4O2/c1-6-14-25(17(4)21(27)22-18-10-8-7-9-11-18)20(26)13-12-19-15(2)23-24(5)16(19)3/h7-13,17H,6,14H2,1-5H3,(H,22,27)/b13-12+
InChIKeyMBLYIHLYEPAJQW-OUKQBFOZSA-N
MW368.48 g/mol
LogP3.32
Rot. Bonds7

About N-phenyl-2-[propyl-[(E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoyl]amino]propanamide

N-phenyl-2-[propyl-[(E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoyl]amino]propanamide (PubChem CID 47090603) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-phenyl-2-[propyl-[(E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoyl]amino]propanamide.

Molecular Properties

Compound NameN-phenyl-2-[propyl-[(E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoyl]amino]propanamide
PubChem CID47090603
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC NameN-phenyl-2-[propyl-[(E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoyl]amino]propanamide
SMILESCCCN(C(=O)/C=C/c1c(C)nn(C)c1C)C(C)C(=O)Nc1ccccc1
InChIInChI=1S/C21H28N4O2/c1-6-14-25(17(4)21(27)22-18-10-8-7-9-11-18)20(26)13-12-19-15(2)23-24(5)16(19)3/h7-13,17H,6,14H2,1-5H3,(H,22,27)/b13-12+
InChIKeyMBLYIHLYEPAJQW-OUKQBFOZSA-N
XLogP3.32
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-phenyl-2-[propyl-[(E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoyl]amino]propanamide 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-(4-anilinophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
CID 51112475
[(2R)-1-oxo-1-(4-phenoxyanilino)propan-2-yl] (E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoate
CID 7792474
methyl 2-[propyl-[3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoyl]amino]acetate
CID 76912431
2-[dimethylcarbamoyl(propyl)amino]-N-phenylpropanamide
CID 75519630
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] (E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoate
CID 7792764
[(2R)-1-oxo-1-[[(1S)-1-phenylbutyl]amino]propan-2-yl] (E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoate
CID 9456845
[(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl] (E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoate
CID 7792777
(E)-N-(4-ethylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
CID 26697174
(E)-N-(4-propan-2-ylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
CID 26288862
(E)-N-(4-phenoxyphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
CID 26114809
(E)-N-[2-(diethylamino)-2-phenylethyl]-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
CID 43048471
(Z)-1-phenyl-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-en-1-one
CID 92966364

Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-[propyl-[(E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoyl]amino]propanamide?
The IUPAC name of N-phenyl-2-[propyl-[(E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoyl]amino]propanamide (CID 47090603) is N-phenyl-2-[propyl-[(E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoyl]amino]propanamide.
What is the SMILES notation for N-phenyl-2-[propyl-[(E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoyl]amino]propanamide?
The canonical SMILES for N-phenyl-2-[propyl-[(E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoyl]amino]propanamide is CCCN(C(=O)/C=C/c1c(C)nn(C)c1C)C(C)C(=O)Nc1ccccc1.
What is the InChIKey of N-phenyl-2-[propyl-[(E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoyl]amino]propanamide?
The InChIKey is MBLYIHLYEPAJQW-OUKQBFOZSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-6-14-25(17(4)21(27)22-18-10-8-7-9-11-18)20(26)13-12-19-15(2)23-24(5)16(19)3/h7-13,17H,6,14H2,1-5H3,(H,22,27)/b13-12+.
What are the key properties of N-phenyl-2-[propyl-[(E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoyl]amino]propanamide?
N-phenyl-2-[propyl-[(E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoyl]amino]propanamide has a molecular weight of 368.48 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-[propyl-[(E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoyl]amino]propanamide is sourced from PubChem (CID 47090603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).