1-(4-methyl-2-phenylpiperazin-1-yl)-3-(1-phenylpyrazol-4-yl)propan-1-one

C23H26N4O — CID 46458650

IUPAC1-(4-methyl-2-phenylpiperazin-1-yl)-3-(1-phenylpyrazol-4-yl)propan-1-one
SMILESCN1CCN(C(=O)CCc2cnn(-c3ccccc3)c2)C(c2ccccc2)C1
InChIInChI=1S/C23H26N4O/c1-25-14-15-26(22(18-25)20-8-4-2-5-9-20)23(28)13-12-19-16-24-27(17-19)21-10-6-3-7-11-21/h2-11,16-17,22H,12-15,18H2,1H3
InChIKeyDXSQCYRCYDLCNB-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.32
Rot. Bonds5

About 1-(4-methyl-2-phenylpiperazin-1-yl)-3-(1-phenylpyrazol-4-yl)propan-1-one

1-(4-methyl-2-phenylpiperazin-1-yl)-3-(1-phenylpyrazol-4-yl)propan-1-one (PubChem CID 46458650) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 1-(4-methyl-2-phenylpiperazin-1-yl)-3-(1-phenylpyrazol-4-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-methyl-2-phenylpiperazin-1-yl)-3-(1-phenylpyrazol-4-yl)propan-1-one
PubChem CID46458650
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name1-(4-methyl-2-phenylpiperazin-1-yl)-3-(1-phenylpyrazol-4-yl)propan-1-one
SMILESCN1CCN(C(=O)CCc2cnn(-c3ccccc3)c2)C(c2ccccc2)C1
InChIInChI=1S/C23H26N4O/c1-25-14-15-26(22(18-25)20-8-4-2-5-9-20)23(28)13-12-19-16-24-27(17-19)21-10-6-3-7-11-21/h2-11,16-17,22H,12-15,18H2,1H3
InChIKeyDXSQCYRCYDLCNB-UHFFFAOYSA-N
XLogP3.32
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R)-4-ethyl-2-methylpiperazin-1-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one
CID 124731950
1-(2,4-dimethylpiperazin-1-yl)-2-(1-phenylpyrazol-4-yl)ethanone
CID 71877362
1-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one
CID 94599269
6-methyl-1-[3-(1-phenylpyrazol-4-yl)propanoyl]piperidine-3-carboxylic acid
CID 122114200
1-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one
CID 37334143
1-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one
CID 25493290
1-[(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one
CID 94487032
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one;hydrochloride
CID 119649031
1-[2-(1-aminoethyl)piperidin-1-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one;hydrochloride
CID 119434870
3-(1-phenylpyrazol-4-yl)-1-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]propan-1-one
CID 75524878
tert-butyl 4-[3-(1-phenylpyrazol-4-yl)propanoyl]piperazine-1-carboxylate
CID 31517544
(3S)-2-[3-(1-phenylpyrazol-4-yl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 125151408

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-2-phenylpiperazin-1-yl)-3-(1-phenylpyrazol-4-yl)propan-1-one?
The IUPAC name of 1-(4-methyl-2-phenylpiperazin-1-yl)-3-(1-phenylpyrazol-4-yl)propan-1-one (CID 46458650) is 1-(4-methyl-2-phenylpiperazin-1-yl)-3-(1-phenylpyrazol-4-yl)propan-1-one.
What is the SMILES notation for 1-(4-methyl-2-phenylpiperazin-1-yl)-3-(1-phenylpyrazol-4-yl)propan-1-one?
The canonical SMILES for 1-(4-methyl-2-phenylpiperazin-1-yl)-3-(1-phenylpyrazol-4-yl)propan-1-one is CN1CCN(C(=O)CCc2cnn(-c3ccccc3)c2)C(c2ccccc2)C1.
What is the InChIKey of 1-(4-methyl-2-phenylpiperazin-1-yl)-3-(1-phenylpyrazol-4-yl)propan-1-one?
The InChIKey is DXSQCYRCYDLCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-25-14-15-26(22(18-25)20-8-4-2-5-9-20)23(28)13-12-19-16-24-27(17-19)21-10-6-3-7-11-21/h2-11,16-17,22H,12-15,18H2,1H3.
What are the key properties of 1-(4-methyl-2-phenylpiperazin-1-yl)-3-(1-phenylpyrazol-4-yl)propan-1-one?
1-(4-methyl-2-phenylpiperazin-1-yl)-3-(1-phenylpyrazol-4-yl)propan-1-one has a molecular weight of 374.49 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-2-phenylpiperazin-1-yl)-3-(1-phenylpyrazol-4-yl)propan-1-one is sourced from PubChem (CID 46458650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).