(E)-1-[(2S)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]-3-(1-methylpyrazol-4-yl)prop-2-en-1-one

C19H24N4O — CID 95216606

IUPAC(E)-1-[(2S)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]-3-(1-methylpyrazol-4-yl)prop-2-en-1-one
SMILESCc1ccccc1N1CCN(C(=O)/C=C/c2cnn(C)c2)[C@@H](C)C1
InChIInChI=1S/C19H24N4O/c1-15-6-4-5-7-18(15)22-10-11-23(16(2)13-22)19(24)9-8-17-12-20-21(3)14-17/h4-9,12,14,16H,10-11,13H2,1-3H3/b9-8+/t16-/m0/s1
InChIKeyVHWCKMHGVDVUIK-FDMDGMSGSA-N
MW324.43 g/mol
LogP2.48
Rot. Bonds3

About (E)-1-[(2S)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]-3-(1-methylpyrazol-4-yl)prop-2-en-1-one

(E)-1-[(2S)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]-3-(1-methylpyrazol-4-yl)prop-2-en-1-one (PubChem CID 95216606) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is (E)-1-[(2S)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]-3-(1-methylpyrazol-4-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-[(2S)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]-3-(1-methylpyrazol-4-yl)prop-2-en-1-one
PubChem CID95216606
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name(E)-1-[(2S)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]-3-(1-methylpyrazol-4-yl)prop-2-en-1-one
SMILESCc1ccccc1N1CCN(C(=O)/C=C/c2cnn(C)c2)[C@@H](C)C1
InChIInChI=1S/C19H24N4O/c1-15-6-4-5-7-18(15)22-10-11-23(16(2)13-22)19(24)9-8-17-12-20-21(3)14-17/h4-9,12,14,16H,10-11,13H2,1-3H3/b9-8+/t16-/m0/s1
InChIKeyVHWCKMHGVDVUIK-FDMDGMSGSA-N
XLogP2.48
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-1-[(2S)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]-3-(1-methylpyrazol-4-yl)prop-2-en-1-one 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

[2-methyl-4-(2-methylphenyl)piperazin-1-yl]-pyrazolo[1,5-a]pyridin-7-ylmethanone
CID 70754475
(E)-1-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-3-(1-methylpyrazol-4-yl)prop-2-en-1-one
CID 51644135
[(2S)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]-(2-phenylpyrimidin-5-yl)methanone
CID 96581267
(2R)-1-[3-(1-methylpyrazol-4-yl)prop-2-enoyl]pyrrolidine-2-carboxylic acid
CID 78922281
2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 70751102
6-methyl-2-[2-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 70785679
1-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-one
CID 70775005
(E)-1-[4-(2-methylphenyl)piperazin-1-yl]-3-phenylprop-2-en-1-one
CID 8910877
[2-methyl-4-(2-methylphenyl)piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 70709461
3-[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]-1,3-thiazolidine-4-carboxylic acid
CID 43359473
(1E,4E)-1,5-bis(1-methylpyrazol-4-yl)penta-1,4-dien-3-one
CID 122177397
1-(4-cyclopropyl-2-methylpiperazin-1-yl)-3-phenylprop-2-en-1-one
CID 171156673

Frequently Asked Questions

What is the IUPAC name of (E)-1-[(2S)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]-3-(1-methylpyrazol-4-yl)prop-2-en-1-one?
The IUPAC name of (E)-1-[(2S)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]-3-(1-methylpyrazol-4-yl)prop-2-en-1-one (CID 95216606) is (E)-1-[(2S)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]-3-(1-methylpyrazol-4-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-[(2S)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]-3-(1-methylpyrazol-4-yl)prop-2-en-1-one?
The canonical SMILES for (E)-1-[(2S)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]-3-(1-methylpyrazol-4-yl)prop-2-en-1-one is Cc1ccccc1N1CCN(C(=O)/C=C/c2cnn(C)c2)[C@@H](C)C1.
What is the InChIKey of (E)-1-[(2S)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]-3-(1-methylpyrazol-4-yl)prop-2-en-1-one?
The InChIKey is VHWCKMHGVDVUIK-FDMDGMSGSA-N. The full InChI is InChI=1S/C19H24N4O/c1-15-6-4-5-7-18(15)22-10-11-23(16(2)13-22)19(24)9-8-17-12-20-21(3)14-17/h4-9,12,14,16H,10-11,13H2,1-3H3/b9-8+/t16-/m0/s1.
What are the key properties of (E)-1-[(2S)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]-3-(1-methylpyrazol-4-yl)prop-2-en-1-one?
(E)-1-[(2S)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]-3-(1-methylpyrazol-4-yl)prop-2-en-1-one has a molecular weight of 324.43 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[(2S)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]-3-(1-methylpyrazol-4-yl)prop-2-en-1-one is sourced from PubChem (CID 95216606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).