1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one

C19H26N4O — CID 19560246

IUPAC1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
SMILESCc1cccc(CN2CCN(C(=O)CCn3nccc3C)CC2)c1
InChIInChI=1S/C19H26N4O/c1-16-4-3-5-18(14-16)15-21-10-12-22(13-11-21)19(24)7-9-23-17(2)6-8-20-23/h3-6,8,14H,7,9-13,15H2,1-2H3
InChIKeyXUJXMSAIQYMDAY-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.23
Rot. Bonds5

About 1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one

1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one (PubChem CID 19560246) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
PubChem CID19560246
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
SMILESCc1cccc(CN2CCN(C(=O)CCn3nccc3C)CC2)c1
InChIInChI=1S/C19H26N4O/c1-16-4-3-5-18(14-16)15-21-10-12-22(13-11-21)19(24)7-9-23-17(2)6-8-20-23/h3-6,8,14H,7,9-13,15H2,1-2H3
InChIKeyXUJXMSAIQYMDAY-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-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

5-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-5-oxopentanamide
CID 86776999
1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 78806232
1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 78788636
1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-one
CID 19558445
3-(3-methyl-4-nitropyrazol-1-yl)-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propan-1-one
CID 19560342
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 828834
1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-4-thiophen-2-ylbutan-1-one
CID 134017459
1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propane-1,2-dione
CID 19325349
1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-phenylsulfanylethanone
CID 23885384
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone
CID 110398802
2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 78793298
1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-4-thiophen-2-ylbutane-1,4-dione
CID 78788582

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one?
The IUPAC name of 1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one (CID 19560246) is 1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one.
What is the SMILES notation for 1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one?
The canonical SMILES for 1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one is Cc1cccc(CN2CCN(C(=O)CCn3nccc3C)CC2)c1.
What is the InChIKey of 1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one?
The InChIKey is XUJXMSAIQYMDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-16-4-3-5-18(14-16)15-21-10-12-22(13-11-21)19(24)7-9-23-17(2)6-8-20-23/h3-6,8,14H,7,9-13,15H2,1-2H3.
What are the key properties of 1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one?
1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one has a molecular weight of 326.44 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one is sourced from PubChem (CID 19560246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).