1-[(3R)-3-phenyl-4-[(1-propylpyrazol-4-yl)methyl]piperazin-1-yl]ethanone

C19H26N4O — CID 124981538

IUPAC1-[(3R)-3-phenyl-4-[(1-propylpyrazol-4-yl)methyl]piperazin-1-yl]ethanone
SMILESCCCn1cc(CN2CCN(C(C)=O)C[C@H]2c2ccccc2)cn1
InChIInChI=1S/C19H26N4O/c1-3-9-23-14-17(12-20-23)13-22-11-10-21(16(2)24)15-19(22)18-7-5-4-6-8-18/h4-8,12,14,19H,3,9-11,13,15H2,1-2H3/t19-/m0/s1
InChIKeyMQTRNTGXSFVHKJ-IBGZPJMESA-N
MW326.44 g/mol
LogP2.70
Rot. Bonds5

About 1-[(3R)-3-phenyl-4-[(1-propylpyrazol-4-yl)methyl]piperazin-1-yl]ethanone

1-[(3R)-3-phenyl-4-[(1-propylpyrazol-4-yl)methyl]piperazin-1-yl]ethanone (PubChem CID 124981538) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-[(3R)-3-phenyl-4-[(1-propylpyrazol-4-yl)methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3R)-3-phenyl-4-[(1-propylpyrazol-4-yl)methyl]piperazin-1-yl]ethanone
PubChem CID124981538
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name1-[(3R)-3-phenyl-4-[(1-propylpyrazol-4-yl)methyl]piperazin-1-yl]ethanone
SMILESCCCn1cc(CN2CCN(C(C)=O)C[C@H]2c2ccccc2)cn1
InChIInChI=1S/C19H26N4O/c1-3-9-23-14-17(12-20-23)13-22-11-10-21(16(2)24)15-19(22)18-7-5-4-6-8-18/h4-8,12,14,19H,3,9-11,13,15H2,1-2H3/t19-/m0/s1
InChIKeyMQTRNTGXSFVHKJ-IBGZPJMESA-N
XLogP2.70
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(3R)-3-phenyl-4-[(1-propylpyrazol-4-yl)methyl]piperazin-1-yl]ethanone 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

1-[(3R)-3-phenyl-4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone
CID 125008142
2-phenyl-1-[(1-propylpyrazol-4-yl)methyl]piperazine
CID 110109099
N-[[6-[(2S)-1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124940019
1-[3-phenyl-4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]ethanone
CID 110109188
1-[(3S)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-phenylpiperazin-1-yl]ethanone
CID 125014450
1-[(3R)-4-[(5-methyl-1H-imidazol-4-yl)methyl]-3-phenylpiperazin-1-yl]ethanone
CID 124953208
1-[(3S)-4-[[2-(methylamino)-3-pyridinyl]methyl]-3-phenylpiperazin-1-yl]ethanone
CID 124941396
1-[(2R)-4-(1-ethylpyrazole-4-carbonyl)-2-phenylpiperazin-1-yl]ethanone
CID 124987763
1-[4-[[2-(methylamino)-3-pyridinyl]methyl]-3-phenylpiperazin-1-yl]ethanone
CID 110098224
2-[(2R)-4-acetyl-2-phenylpiperazin-1-yl]-1-piperidin-1-ylethanone
CID 124940322
1-[(3R)-3-phenyl-4-[(1-propan-2-ylimidazol-2-yl)methyl]piperazin-1-yl]ethanone
CID 124974764
1-[3-phenyl-4-[(1-propan-2-ylimidazol-2-yl)methyl]piperazin-1-yl]ethanone
CID 110098235

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-phenyl-4-[(1-propylpyrazol-4-yl)methyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[(3R)-3-phenyl-4-[(1-propylpyrazol-4-yl)methyl]piperazin-1-yl]ethanone (CID 124981538) is 1-[(3R)-3-phenyl-4-[(1-propylpyrazol-4-yl)methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[(3R)-3-phenyl-4-[(1-propylpyrazol-4-yl)methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[(3R)-3-phenyl-4-[(1-propylpyrazol-4-yl)methyl]piperazin-1-yl]ethanone is CCCn1cc(CN2CCN(C(C)=O)C[C@H]2c2ccccc2)cn1.
What is the InChIKey of 1-[(3R)-3-phenyl-4-[(1-propylpyrazol-4-yl)methyl]piperazin-1-yl]ethanone?
The InChIKey is MQTRNTGXSFVHKJ-IBGZPJMESA-N. The full InChI is InChI=1S/C19H26N4O/c1-3-9-23-14-17(12-20-23)13-22-11-10-21(16(2)24)15-19(22)18-7-5-4-6-8-18/h4-8,12,14,19H,3,9-11,13,15H2,1-2H3/t19-/m0/s1.
What are the key properties of 1-[(3R)-3-phenyl-4-[(1-propylpyrazol-4-yl)methyl]piperazin-1-yl]ethanone?
1-[(3R)-3-phenyl-4-[(1-propylpyrazol-4-yl)methyl]piperazin-1-yl]ethanone has a molecular weight of 326.44 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-phenyl-4-[(1-propylpyrazol-4-yl)methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 124981538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).